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Robert P. Adams - Identification of Essential Oil Components by Gas Chromatography - Mass Spectrometry (2017, Allured Publishing)
Robert P. Adams - Identification of Essential Oil Components by Gas Chromatography - Mass Spectrometry (2017, Allured Publishing)
an electronic version of the original 4th ed. printed by Allured publishing, 2007
ISBN 978-1-932633-21-4
CONTENTS
Preface v
I Introduction 1
II. Nomenclature 1
III. Mass Spectrometry Considerations 2
A. Obtaining Quality Spectra for Identification 2
B. The Role of Retention Times in Library Searches 3
IV. Operating Conditions Used for Spectra Acquisition 4
V. Compatibility with Mass Spectrometer Data Systems 5
VI. Explanations of Formats Used in Appendices 6
VII. References 7
PART B APPENDICES
iii
Preface
This is the fourth edition on mass spectra and retention times of common components in plant essential oils. It
differs from the previous in edition in that an additional 600 compounds have been added and the source of the
sample has been added, along with a few sources in nature for most of the compounds. All of the compounds
have been analyzed on an HP5970 MSD mass spectrometer using HP Chemstation software. I hope it will be a
useful as a tool for the identification of compounds in this format. In addition, the library (including retention
times) is available for the most common mass spectrometer/ computer systems. Changes in technology allow us
to make this available now. For instance, when I began research on essential oils in 1966, a major portion of my
thesis work involved the identification of components in Juniperus by IR spectra. Of course that involved cold
trapping compounds as they eluted from the TC detector on GC. With current mass spectrometers, we can now
accomplish in a couple of hours the analysis that took months or years. This book is an outgrowth of the previous
books (Identification of Essential Oils by Ion Trap Mass Spectroscopy, Academic Press, 1989; Identification of
Essential Oil Components by Gas Chromatography/Mass Spectroscopy, Allured Publishing, 1995), but its roots
reach back to 1976 when I took a sabbatical study with Ernst von Rudloff and Lawrence Hogge at the National
Research Council of Canada. Our collaborative efforts yielded numerous mass spectra on their quadrupole mass
spectrometer. Later, as I visited with colleagues in chemical ecology, I began to appreciate the library that I had
assembled. So this book is an outgrowth of much collaboration, starting with Ernst von Rudloff and now
reaching around the world. I owe a special debt of thanks to colleagues who unselfishly sent samples of oils,
mass spectra, marked chromatograms, and even purified compounds. These colleagues include: E. A. Aboutabl,
Egypt; Aldrich Chemical Co., USA; J. Altarjos, Spain; Applied Science Co., USA; A. Badoc, France; A; J.
Barroso, Portugal; K. H.C. Baser, Turkey; A. F. Barrero, Spain; J. Berlin, Germany; H. Bussenius, Haiti; J. J.
Brophy, Australia; E.-J. Brunke, Symrise GmbH & Co. (formerly Dragoco), Germany; J. L. R. Canavate, Spain;
R. M. Carman, Australia; J. Casanova, France; F. M. Chaudary, Pakistan; T. S. Chamblee, Coca Cola Co., USA;
A. Chainteau, Nestec, Switzerland; J. C. Chalchat, France; M. Chien, Givaudan, USA; G. Collin, Canada; D.
Clark, New Zealand; L. Cool, USA; A. Cornat, France; A. A. Craveiro, Brazil; W. Cretney, Canada; R. Croteau,
USA; Jian-Qin Cu, China; C. Demetzos, Greece; H. De Pooter, Belgium; M. Deyrup, USA; V. Dev, USA; R. P.
Doss, USA; V. Dragar, Australia; G. Dugo, Italy; L. Doimo, Australia; F. S. El-Feraly, Saudi Arabia; G. Elzen,
USA; W. W. Epstein, USA; N. Fisher, Germany; R. Estell, USA; Z. Fleisher, Crompton & Knowles, USA; C.
Franz, France; R. P. Garry, France; S. Geribaldi, France; K. Gollnick, Germany; J. Hafizouglu, Turkey; K. J.
Harkiss, England; C. Harvala, Greece; S. Hasegawa, Japan; A. R. Hayman, New Zealand; E. Hethelyi, Hungary;
H. G. Hills, USA; J. Hendrickson, USA; L. Hogge, Canada; G. Honda, Japan; M. Ito, Japan; P. Joseph-Nathan,
Mexico; D. Joulain, France; A. J. Kahn, USA; W. A. Konig, Germany; S. Kral, IFF, USA; J. Langenheim, USA;
D. Lamparsky, Givaudan, Switzerland; A. Lara, Spain; B. M. Lawrence, USA; N. G. Lewis, USA; M. Maffei,
Italy; M. L. Maheshwari, India; C. S. Mathela, India; C. A. McDaniel, USA; B.Y. Meklati, Algeria; A. Michet,
France; C. Menut, France; L. N. Mishra, India; D. McMahon, Union Carbide Corp., USA; K. Moriai, Japan; M.
G. Moshonas, USA; R. D. H. Murray, Scotland; S. Nagahama, Japan; K. R. Neisess, USA; I. Nykanen, Finland; J.
Oda, Japan; T. H. Ohaski, Japan; S. Park, USA; F. Perineau, France; W. Phillips, USA; G. Prestwich, USA; R. A.
Raguso, USA; P. Raharivelomanana, France; P. Richomme, France; B. Rodriguez, Spain; V. Roussis, Greece; A.
San Feliciano, Spain; J. J. C. Scheffer, Netherlands; R. Scheffrahn, USA; G. Schmaus, Symrise GmbH & Co.
(formerly Dragoco), Germany; N. Sellier, France; D. Senalik,USA; S. Shatar, Mongolia; H. Shiota, Japan; E.
Silva, Mexico; I. Southwell, Australia; E. Stahl-Biskup, Germany; R. Stipanovic, USA; A. B. Svendsen,
Netherlands; A. Tara, Italy; A. Tenaglia, France; R. S. Thakur, India; R. K. Thappa, India; A. F. Thomas,
Firmenich, Switzerland; M. Toyoat, Japan; R. R. Trenkle, IFF, USA; A. O. Tucker, USA; A. Ulubelen, Turkey;
T. A. van Beek, Netherlands; A. Velasco-Negueruela, Spain; J. P. Vidal, France; O. Vostrowsky, Germany; G. J.
Wagner, USA; P. Waterman, U.K.; R. Weavers, New Zealand; H. Weyerstahl, Germany; P. Weyerstahl,
Germany; P. T. White, USA; M. Whitten, USA; H. J. Woerdenbag, Netherlands; K. C. Wong, Malaysia; Xu Ji-
Qing, China; Xiaobing Yu, China; P. Yates, Canada; Y. Yuesa, Japan; T. A. Zanoni, USA; M. G. B. Zoghbi,
Brazil; J. A. Zygadlo, Argentina; and J. H. Zwaving, Netherlands.
Special thanks Maarten Posthumus who faithfully sent me typo and structural errors from previous editions
and printings. His keen eyes and cooperative spirit have been important in producing this book.
iv
Thanks to Tonya Yanke, Lou Garrett, Madeline Reed and Ryan Perez for assistance with word processing and
drawing structures. Also thanks to several young students who helped: Carlos Borunda, Blake Fitzgerald and
Ryan Remick.
Finally, I would like to thank my wife, Janice, for her patience and encouragement.
v
PART A COMBINED GAS CHROMATOGRAPHY/
MASS SPECTROMETRY
I. INTRODUCTION
The utilization of essential oils of plants is widespread ranging from perfumes and fragrances, to spices and medicinals.
Research has varied from very applied, as in the case of quality control of fruit juices, to academic studies involving insect-
plant coevolution. But in all cases, the investigator or user is faced with the problem of identification of numerous
components in generally very complex mixtures. The volatile (usually taken to mean steam distillable) plant oils are
composed of chiefly terpenoids: mono-, sesqui- and di-terpenes, plus various alcohol, ketone and aldehydes of terpenoids,
with frequently occurring aromatic compounds arising from the phenyl-propanoid pathway (i.e., eugenol, safrole, elemicin,
etc.). In some species, one may obtain alkanes and aliphatic alcohols, ketones and aldehydes.
Many of the components of plant essential oils are common to many species (i.e., -pinene, limonene, myrcene, camphor,
etc.). In fact, it appears that the ability to identify perhaps as few as five hundred compounds would enable one to identify
more than 90% of the constituents of the essential oil of most species. Of course, there are exceptions such as Artemesia
(Epstein, et al., 1976) with its non-head-to-tail monoterpenes. But, one only has to examine the works of Craveiro, et al.
(1981), Formacek and Kubeczka (1982), Lawrence (1978, 1979), and Masada (1976) to see the reports of a few hundred
compounds from hundreds of species. Even though most of the identifications encountered in essential oils (and particularly
physiological analyses of seasonal and edaphic factors in commercial spice and essential crops) may involve common
terpenoids, unequivocal identification can be difficult (Adams, et al., 1979).
Historically, essential oil components have been identified by infrared spectroscopy (IR) with stereochemistry assigned
by nuclear magnetic resonance (NMR). Only rarely has ultraviolet spectroscopy (UV) been useful for identification.
Although liquid phase IR is very explicit (essentially fingerprints) for most components, the difficulty in isolation of pure
fractions containing only a single minor component has largely negated the present use of liquid phase IR. The development
of vapor phase IR and the concurrent construction of reference libraries might expand the use of vapor phase IR for the
identification of essential oils.
The advent of fused quartz, bonded-phase capillary columns has led to very reproducible retention times and reproducible
columns from batch to batch (Jennings, 1987). Given reproducible retention times, the unequivocal identification of
essential oil components is possible by retention time/ mass spectrometry/ computer searching algorithms (Adams, et al.,
1979; Adams, 1989; 1995; 2001).
The introductions of the Ion Trap Detector (ITD) or ion trap mass spectrometry by Finnigan Corp. and the desktop
quadrupole by Hewlett-Packard, to name but two, have made available relatively inexpensive mass spectrometers that have
full computer searching capabilities. In addition, users can build their own library and search them.
The purposes of this book are to present quadrupole mass spectra, retention times, structures, and synonymy for the most
commonly occurring plant essential oil components.
II. NOMENCLATURE
There no general agreement on the nomenclature of common names utilized for essential oil components. Because of the
long historical usage of common names, the more precise chemical names provided by the Chemical Abstract Service (CAS)
are seldom used.
However, there are some conventions that need to be adopted for the common names that will lead to more uniformity. It
has been common to call isomers about a double bond as cis and trans rather than E and Z (below):
E OH Z OH
1
However, in this book, I shall try to be consistent in naming all double E
H
caryophyllene:
(E)-caryophyllene (Z)-caryophyllene
2 Adams: Essential Oil Components by GC/MS
Even more confusing for (E)-caryophyllene ('beta-caryophyllene'), the double bond in the alpha position results in the
name of alpha-caryophyllene, but this compound is universally called alpha-humulene!
True cis and trans- isomers have also resulted in problems. Decouzon et al. (1990) have proposed a system of naming
that is often followed (and will be followed in this book). They present the following isomers of menthol:
OH OH OH
OH
The naming convention of Decouzon et al. (1990) is used in this book for these kinds of neo-, iso- and neoiso- isomers.
Because unequivocal identification of some terpenoids can not by made on the basis of their mass spectra (with current
technology), the use of retention times is critical. As of this date, most data systems do not incorporate retention times in
their library searches. For this reason, I have included the retention time just before the name for each compound in the
library (ex. 5.62 thujene <alpha->). Thus, 5.62 is the retention time in mins. on DB-5, 30 m, temperature programmed from
60 oC to 246 oC at 3 oC /min. ramp.
Figure 2 shows the result of a library search for the compound at 5.589 to 5.647 in lemon oil. For this small peak, I
would use a RT of 5.589 min. + 0.05 min. = 5.639 min. This closely matches the RT for the first match (5.62 thujene<alpha-
>
Figure 2. Library search for -thujene from lemon oil (top) vs. -thujene from the library. Notice that the second match
was to -phellandrene at nearly the same quality level (94 vs. 91).
from the HP Chemstation search. Although the second match (7.85 phellandrene (alpha->) is nearly as similar, note that
the retention time (7.85 min.) is far too late to be the unknown peak.
A second example (Fig. 3) shows the searching for a large compound in lemon oil. In this case, the scan through the peak
is from 8.657 to 8.865. So I would round up the last digit (8.657 -> 8.66 and add 0.05 min = 8.71. The HPChemstation
search correctly identified the peak as limonene (Fig. 3), with a RT in the library of 8.69 min. In general, you should expect
to be within 0.1 min. of the library time if you use the same DB-5, 30m column, same temperature ramp (60 oC to 246 oC at
3 oC /min. and if you correct your peaks RT to library values when you identify new peaks.
We routinely add two internal standards to our samples: octane (C8) and eicosane (C20). If the starting time is incorrect,
a correction can be added to the early peak's retention times. If some problem has developed in the gas chromatograph's
oven temperature controller and/or column characteristics, this changes the retention time of eicosane.
In actual practice, you can easily adjust retention times as you process the output by merely noting the retention time (RT)
of major peaks that are easily identified and then either adding or subtracting the difference in their RT and that in the
library. For example, if in the above example, -thujene in lemon oil had a RT of 5.50 versus 5.62 in the library, then I
would begin to add 0.12 min to the RT of the next peak(s). If further along in the chromatogram, geraniol had a RT of
17.81 versus 17.95 in the library, then I would begin adding 0.14 min. to the RT of the next peak(s). By adjusting the RT as
one “crawls” along the chromatogram, one can attain very good retention times.
It should also be noted that occasionally, the library search just does not seem to pick up some subtle differences and it is
useful to have the book opened to about the unknown’s RT and just look on the pages! Our eyes are still pretty good at
seeing patterns that computer searches miss.
4 Adams: Essential Oil Components by GC/MS
Mass spectra were obtained on an Hewlett Packard (HP) model 5970b MSD mass spectrometer, coupled directly to a HP
5890 gas chromatograph fitted with a J & W DB-5, 0.25 mm i.d. x 30 m, 0.25 micron coating thickness, fused silica capillary
column. The GC/MSD was operated under the following conditions: injector temperature - 220 oC; transfer line - 240 oC;
oven temperature programmed - 60 oC to 246 oC @ 3 oC/min; carrier gas - He @ 34.96 cm/sec or 1.02 ml/min (@ 210 oC);
injection (for most whole essential oils) - 0.1 µl (10% soln.), split 1:20, 500 ng/on column; (for individual or simple mixtures
of reference compounds) - 0.1 µl (1% soln.), split 1:20, 50 ng/on column. Internal standards (n-octane and n-eicosane) were
added to each sample to aid in the standardization of retention times.
The following is a typical set of values for our instrument: EM Volts 1800v., X ray 44.0, emission on, Amu Gain 88,
Amu Offs 60, Mass Gain 52, Mass Offs 14, Repeller 10.20, Ion Focus 0.0, Ent Lens 54. Acq. Mode Scan, Scan Range 41 -
415, 1 scan/ sec., Solvent delay 2.00 min.,
[16.] Teknivent Vector 2 can read PBM (#1. above) formatted library
[17.] NIST format, this library can be created by converting HP Chemstation (9. above) using LIB2NIST.exe that is a free
download from http://chemdata.nist.gov.
Many of the data systems can input a HP Jcamp (8.) formatted library and convert it to their internal format. It should be
noted that 13 (above) Mass Finder is a stand alone software that can input mass spectral data from most systems.
MassFinder can be used to process and identify compounds using a combination spectral data and retention times.
Figure 4. MassFinder search page showing the identification of -cadinene. The middle section displays the previous, current,
and next scan from the RIC (left). Library matches are on the right side, ranked by similarity (1 and 2 of 27 shown).
Figure 4 shows a search from MassFinder. One of the benefits of Mass Finder is that it displays the previous and next
mass spectral scan as well as the current scan. So it is easy to detect mixed peaks. Another very useful feature of
MassFinder is the capability of outputting customized RIC and mass spectra from publication. Information on MassFinder is
available from Detlev Hochmuth at www.massfinder.com.
Because retention times may vary as columns age and if different carrier gases are used, it is useful to have an index
based on a series of standards, such as straight chain hydrocarbons. The most common index is the Kovats Index (Kovats,
1965).
Kovats Indices are computed using formula (2), p. 230 from Kovats (1965) as follows:
KI (x) = 100 Pz + 100 [(log RT (x) - log RT (Pz )) / (log RT (Pz+1 ) - log RT (Pz ))]
Where: RT (Pz) RT(x) RT(Pz+1 ), and P4 ... P34 are n-paraffins. (up to N=34 in this book).
6 Adams: Essential Oil Components by GC/MS
However, Van den Dool and Kratz (1963) noted earlier that when temperature programming is done, an arithmetic index
(AI) would be more appropriate than a logarithm based index. The Arithmetic Index used in this edition was computed as:
AI (x) = 100 Pz + 100 [(RT (x) - RT (Pz )) / (RT (Pz+1 ) - RT (Pz ))]
Both AI and KI indices are presented for each compound in Appendix III.
The first appendix presents an alphabetical list of the compounds for which mass spectra were obtained and includes their
retention time and Arithmetic Index on a J & W DB-5, 30 m, 0.26 mm i.d., 0.25 micron coating thickness, with helium
carrier gas at 31.9 cm/sec (1.017 ml/min), programmed temperature of 60 to 246 oC at 3 oC/min. The problem of presenting
different retention indices has been discussed by Jennings (1978) and Jennings and Shibamoto (1980). I have chosen to
follow Jennings and Shibamoto (1980) in publishing retention times but have also included both Arithmetic and Kovats
Indices.
A small DOS program (ARITHIND.EXE) is included on the CD ROM that may be used to print out a complete table of
RTs, AIs and KIs from RT = 1.43 to 82.80 minutes (C4 - C34 alkanes).
It should be noted that retention on a carbowax type column may seem essential, but we have found even bonded
carbowax to change polarity characteristics rather quickly (and therefore change the retention times) . The non-polar phases
lack some of the resolving power for alcohols and ketones, but the longer term stability and lower batch-to-batch variability
offset that liability. The polarity of a DB-5 column is equivalent to: BP-5, CP-SIL-8CB, DC-200, DC-560, Dexsil 300, GB-
5, OV-3, OV-73, SE-52, SE-54, SPB-5, Ultra 2, and 007-2.
Appendix II lists the compounds by retention times on DB-5. This list is useful when you are identifying compounds, as
it is a quick guide to see if a library match runs close to the peak you are analyzing.
Appendix III presents the quadrupole spectra of compounds that are most commonly encountered in the identification of
essential oils. Unfortunately, several very common compounds are not in the appendix because we could not obtain
authentic reference compounds. Each of the compounds was searched in Chemical Abstracts Service to obtain the current
chemical or systematic name (CN), to supplement registry numbers, to supplement synonyms. Structural information came
from original literature sources (see preface), Aldrich Chemical Co. catalog, Alfa Chemical Co. catalog, Chemical Abstracts
Service, Devon and Scott (1972), DICTIONARY OF ORGANIC COMPOUNDS (1982), FOOD CHEMICAL CODEX
(Dodgen, 1981), EPA/NIH mass spectral data base (Heller and Milne, 1980), Formacek and Kubeczka (1982), Jennings and
Shibamoto (1980), Pfaltz and Bauer Chemical Co. catalog, Swigar and Silverstein (1981), von Sydow, Anjou and Karlsson
(1970), Masada (1976), Merck Index (Windholz, 1983), and Yukawa (1973). As far as practical, the structural patterns used
by Devon and Scott (1972) were followed. Each of the compounds follow the same format:
Where:
RT = retention time on DB-5 column, in minutes.
AI: = Arithmetic Index on DB-5 in reference to n-alkanes
KI = Kovats Index on DB-5 in reference to n-alkanes.
Common name = common name generally used (of course some compounds have two or three names that are very widely
used, so it is somewhat arbitrary, no matter which name is used herein). As far as possible, the root of the common name is
typed first, with modifiers placed afterwards (ex. TERPINENE <α-> not α-terpinene). This enables one to sort the names
and hopefully will aid the user in finding names.
CAS# = Chemical Abstracts Service reference number. Many of the essential oil components have been assigned several
CAS#s over the years because of their independent discoveries around the world. Of course, CAS tries to keep the registry
up to date. Another problem with the CAS registry numbers is that the optical rotation of essential oil components is
difficult to obtain from trace components in complex mixtures. Therefore, most of the reports of species composition do not
include information on optical rotation. For example, the sample of calamenene came from a complex oil mixture and a
search of CAS revealed both R (+) and S (-) forms have been reported. Therefore, the choosing of a CAS number becomes
arbitrary. This also presents a problem for the staff at CAS when they assign registry numbers to compounds in the
literature.
MF = molecular formula.
Adams: Essential Oil Components by GC/MS 7
MSD Libr# = HP MSD library entry number (the library is available on CD ROM from Allured Publishing).
CN = chemical or systematic name used by Chemical Abstracts Service. Almost all the names are from the 9th chemical
index.
SYNONYMS = synonyms for the common name. Some of these are various permutations of an older systematic name (ex.
3-methyl -4-heptanone and 4-heptanone, 3-methyl-). Almost all of the synonyms are cross indexed in Appendix IV.
To the right of each compound name and paragraph is the structure, and below is the mass spectrum on the HP Mass
Selective Detector (MSD). Although most cis- and trans- isomers follow the CAS rules using the groups with the largest
molecular weights to assign cis- and trans-, these rules sometimes differ from traditional usage (e.g., cis- and trans-ß-
terpineol, cis/trans- sabinene hydrates, etc.). As far as possible, the CAS system is followed and noted on the compound
entry.
SOURCE = source of the compound used for the analysis, plus other natural sources where known.
Appendix IV lists all the synonyms and cross-references the synonyms to the common name as an aid for the reader. The
accepted common names (used for the spectra in Appendix III) are in bold face capitals (ex. ABIETAL).
VI. REFERENCES
Adams, R. P. 1970. . Seasonal variation of terpenoid constituents in natural populations of Juniperus pinchotii Sudw.
Phytochem. 9:397-402.
Adams, R. P. 1989. Identification of Essential Oils by Ion Trap Mass Spectroscopy, Academic Press, San Diego, CA.
Adams, R. P. 1995. Identification of Essential Oil Components by Gas Chromatography/ Mass Spectroscopy,
Allured Publishing, Carol Stream, IL, USA.
Adams, R. P. 2001. Identification of Essential Oil Components by Gas Chromatography/ Quadrupole Mass Spectroscopy,
Allured Publishing, Carol Stream, IL, USA.
Adams, R. P. and L. Hogge. 1983. Chemosystematic studies of the Caribbean junipers based on their volatile oil. Biochem.
Syst. Ecol. 11:85-89.
Adams, R. P., M. Granat, E. von Rudloff and L. Hogge. 1979. Identification of lower terpenoids from gas-chromatograph-
mass spectral data by on-line computer method. J. Chromatographic Sci. 17:75-81.
Adams, R. P., T.A. Zanoni and L. Hogge. 1985. The volatile leaf oils of the
Junipers of Guatemala and Chiapas, Mexico: Juniperus comitana, J.
gamboana and J. standleyi. J. Nat. Prod. 48:678-680.
Aldrich Chemical Company Catalog. Milwaukee, WS.
Craveiro, A. A., A.G. Fernandes, C.H.S. Andrade, F.J.D. Matos, J.W. Alencar and M. I.L. Machado. 1981. Oleos
Essenciais
de Plantas do Nordeste, Edicoes UFC, Fortaleza, Brazil
Decouzon, M., J-F. Gal, S. Geribaldi, M. Rouliard and J-M. Sturla. 1990. Differentiation of diasteroisomeric alcohols by
electron impact and negative ion chemical ionization associated with collision-induced dissociation. AFourier transform
ion cyclotron resonance study. Organic Mass Spectrometry 25: 312-316.
Devon, T. K. and A.I. Scott. 1972. Handbook of Naturally Occurring Compounds. Vol. II. The Terpenes, Academic Press,
New York, NY.
Dictionary of Organic Compounds. 5th Edition 1982. J. Buchingham, ed., Chapman and Hall, New York, NY.
Dodgen, D. F. 1981. Food Chemicals Codex. 3rd Edition, National Academy Press, Washington, DC.
Epstein, W. W. and L.A. Gaudioso. 1984. Volatile constituents of sagebrush. Phytochemistry 23: 2257-62.
Formacek, V. and K.-H. Kubeczka. 1982. Essential Oils Analysis by Capillary Gas Chromatography and Carbon-13 NMR
Spectroscopy, John Wiley & Sons, New York, NY.
Heller, S. R. and G. W. A. Milne. 1980. EPA/NIH Mass Spectral Data Base, U.S. Government Printing Office,
Washington, DC.
Jennings, W. 1978. Gas Chromatography with Glass Capillary Columns, Academic Press, New York, NY.
Jennings, W. 1987. Analytical Gas Chromatography, Academic Press, New York, NY.
Jennings, W. and T. Shibamoto. 1980. Qualitative Analysis of Flavor and Fragrance Volatiles by Glass Capillary Gas
Chromatography, Academic Press, New York, NY.
Kovats, E. 1965. The retention index system. pp. 229-247. in Advances in Chromatography, Vol. I., J.C. Giddings and R.A.
Keller (eds.), Marcel Dekker, Inc.New York, NY.
Lawrence, B. M. 1978. Essential Oils 1976-1977, Allured Publishing Co., Wheaton, IL.
8 Adams: Essential Oil Components by GC/MS
Lawrence, B. M. 1979. Essential Oils 1978, Allured Publishing Co., Wheaton, IL.
Masada, Y. 1976. Analysis of Essential Oils by Gas Chromatography and Mass Spectrometry, John Wiley & Sons, Inc.,
New York, NY.
Pfalz and Bauer Chemical Company Catalog.
Southwell, I.A. 1987. Essential oil isolates from the Australian Flora. Part 2. Flavor and Frag. J. 2: 21-27.
Swigar, A. A. and R.M. Silverstein. 1981. Monoterpenes: Infrared, Mass, 1HNMR and 13C NMR Spectra, and Kovats
Indices, Aldrich Chemical Co., Milwaukee, WS.
Van den Dool, H. and P. Dec. Kratz. 1963. A generalization of the retention index system including linear temperature
programmed gas-liquid partition chromatography. J. Chromatography 11: 463 - 471.
von Sydow, E., K. Anjou and G. Karlsson. 1970. Mass Spectral Data of Terpenes, Svensak Institut for
Konserveringsforskning Rapport, Nr 279, Kalleback.
Windholz, M. (ed.).1983. The Merck Index. 10th Edition, Merck & Co., Inc., Rahway, N.J.
Yukawa, Y. and S. Ito, (eds.). 1973. Spectral Atlas of Terpenes and the Related Compounds, Hirokawa Publishing
Company,
Inc. Tokyo.
PART B APPENDICES
Appendix I
Appendix II
RT AI Common Name
56.77 2310 Isopimarol
56.85 2312 Abieta-7,13-diene-3-one
56.87 2313 Abietal
56.88 2314 Totarol <trans->
56.92 2315 Ferruginol <6,7-dehydro->
57.17 2324 Abietadien-18-ol <8,13->
57.39 2331 Ferruginol <trans->
57.39 2331 Methyl daniellate
57.55 2337 Manool oxide <3α-14,15-dihydro->
57.65 2341 Methyl dehydroabietate
57.72 2343 Abietol <4-epi->
57.76 2344 Libocedrol
58.18 2359 Manool <3α-acetoxy->
58.21 2360 Peucenin, 7-methyl ether
58.21 2360 Torulosol
58.28 2363 Ferruginol acetate <trans->
58.35 2365 Communic acid
58.42 2368 Abietol, dehydro
58.50 2370 Ferruginol <cis->
58.80 2381 Methyl labdanolate
58.91 2385 Methyl abietate
58.96 2387 Methyl nidoresedate
58.96 2387 Methyl strictate
59.05 2390 Heyderiol
59.12 2392 Labd-7,13-dien-15-ol, acetate
59.33 2400 Tetracosane <n->
59.37 2401 Abietol
59.63 2411 Ferruginol acetate <cis->
59.92 2422 Labd-13E-8,15-diol
60.10 2428 Totarol acetate <trans->
60.28 2435 Taxodione <6-deoxy->
60.48 2443 Methyl neoabietate
60.55 2445 Totarol <7α-hydroxy-trans->
60.84 2456 Ferruginol <6-keto->
61.15 2468 Abietol <neo->
62.00 2500 Pentacosane <n->
62.05 2501 Methyl-7,13,15-abietatrienoate
63.10 2542 Totarolone
63.30 2549 Hinokione
63.50 2557 Hinokienone
64.33 2589 Hinokiol
64.61 2600 Hexacosane
65.36 2629 Sugiol
67.12 2700 Heptacosane
67.83 2729 Resveratrol
69.55 2800 Octacosane
71.78 2900 Nonacosane
74.16 3000 Triacontane
76.35 3100 Untriacontane
78.48 3200 Dotriacontane
79.26 3237 Stigmast-4-en-3-one
80.55 3300 Tritriacontane
82.80 3400 Tetratriacontane
52 Adams: Essential Oil Components by GC/MS
Appendix III: Mass Spectra 53
Appendix III
45 59
100
80 O
60 74
40
20
41
100 57
80
60
40
20 86
71
40 60 80 100
Appendix III: Mass Spectra 55
57
100 O
80
O
60
40
88
20 45
62
100 CH2Cl
80 CH2Cl
60
40 49
20
98
42
100 O
80
60
40
70
20
41
100 OH
80
60
40
20 59
74
43
100 O
80
60
40 71
57
20
86
OH
56
100
O O
80
43
60
40
20
40 60 80 100 120
43
100 O
80
60
40
20 86
58 71
OH
OH
OH
Appendix III: Mass Spectra 59
43
100
80
60
57 71
40
20 100
43
100
80
O
60
O
40 57
20 100
81
100 O
80
60
96
40
53
20 41
67
45
100
O
80 59 OH
60
40
72
20
57
100
80
60
40
20 45 74 102
40 60 80 100 120
Appendix III: Mass Spectra 61
O-Me
41
100
80 56 OH
60 68
40
20 86
56
100
80 OH
60 70
40 42
20
43
100
O
80
60
40
57
20 85 100
66
100
80
60
40
20 79
41 51 94
41
100 55
80
60 70
40
20
58
100 85 N
80
S
60
40
45
20
84
100 55 E
O
80
60
40 41
20
81
100
80
60
54
40 67 96
20 41
55
100 O E
80
84
60
41
40
20 69
45
100
OH
80
60
40
69
20 84
57
40 60 80 100 120
79
100
80
60
40 94
20 53 66
41
60 80 100 120 140
Appendix III: Mass Spectra 65
43
100
80 O O
60
40
56 73
20
42
100
80
55
60
40 70
20
OH
66 Adams: Essential Oil Components by GC/MS
71
100 OH
80 41
60
40 53
20 86
OH
Z
43
100 O-Ac
80
60
40
56 91
20 73 79
57
100
80
OH
60
40
20 43 72
79
100
80
60
94
40
20 51 65
45
100
80
60
40
20 57
79
100
80
60
40 94
20 53 66
41
60 80 100 120 140
41
100
HS
80
60
47 55
40
70 104
20
40 60 80 100 120
43
100 O
80
60
40 71
20 114
40 60 80 100 120
80
41 70
60
40
20
41
100
55
80
70
60
40
83
20 112
40 60 80 100 120
41
100
E
80 O
60
69
40
55
20 80
98
OH
41
100
80 Z O
60
69
40 55
20 83
98
57
100
O
80
60
40 O
20
114
40 60 80 100 120
72 Adams: Essential Oil Components by GC/MS
43
100
CH3(CH2)6CH3
80
60
40 57 85
71
20
114
40 60 80 100 120
44
100 H
80
56 O
60
40
20 72
82
55
100 41
E
80
60
40
70
20 83 112
40 60 80 100 120
Appendix III: Mass Spectra 73
79
100
80
60
40 94
51
20 41 63
66
100
80 91
60 78
40 106
51
20
40 60 80 100 120
74 Adams: Essential Oil Components by GC/MS
43
100
80
60
40 56
20 73
55
100 41
Z (CH2)4-CH3
80
60
40 70
112
20 83
40 60 80 100 120
71
100 99 N
80
S
60 45
40
20
41
100 55
80
60
70
40
112
20 83
40 60 80 100 120
94
100 N
80
60 67
N
40
42 53
20
Me-O
O
76 Adams: Essential Oil Components by GC/MS
109
100
67
80
60 82
40 41 95
124
20 55
O O
60
100
O
80
60 OH
41
40
20 87
69
40 60 80 100 120
Appendix III: Mass Spectra 77
96
100
O
80 O
60
40
20 42 67
50
OH
43
100 O OH
80
60
59
40
20 101
68
100
80
109
60
40 41
124
20 53 81
95
74
100
OH
80
60 O
41 57
40
87
20
40 60 80 100 120
56
100 OH
80
69
60 41
40
20 84
40 60 80 100 120
Appendix III: Mass Spectra 79
E OH
41
100 O
80
55
H
E
60
69
40 83
20 98
88
100
57 O
80 41
60 O
40 70
20 115
130
40 60 80 100 120 140
Z OH
Appendix III: Mass Spectra 81
E
OH
55
100
OH
80
60 O
41
40 100
20 82
73
E
82 Adams: Essential Oil Components by GC/MS
57
100
HO
80
Z
60
41
40 67
82
20
55
100
O
80
60 83 114
O-Me
40
99
20 43
40 60 80 100 120
Appendix III: Mass Spectra 83
43
100
80
60 OAc
70
40 55
20 61 87
43
100
O
80
Z
60
97 112
40 69
20 55
40 60 80 100 120
OH
Z
84 Adams: Essential Oil Components by GC/MS
RT: 4.50 AI: 875 KI: 881 Methyl butyl acetate <2->
CAS#: 624-41-9 MF: C7 H14 O2 FW: 130 MSD LIB#: 1088
CN: 1-butanol, 2-methyl, acetate
Synonyms: sec-pentyl acetate; sec-amyl acetate
Source: Aldrich Chem.; 4.24% Michelia figo, p. 17, in: Aromatic Plants & Essential
Oil Constituents, Peace Book Co., Hong Kong(1993); 2.80% Michelia balansae;
0.62% Anthemis nobilis
43
100
O-Ac
80
60
40
70
20 55
43
100
80
O-Ac
60
68
40
20
53
43
100 O
80 57
O
60
85
40
74 103 116
20
129
40 60 80 100 120 140
43 71
100
O
80
60 O
40
20
57
100
100
80 O
60
55 82 OH
40
41
20
55
100
O
80
60 O
40
83
41
20 69 128
79 94
100
80
60
40
122
20 41 51 65 107
55
100
OH
80
73
60
43
40
20
41
100 56 O
80
H OH
60
40
101
20
74
40 60 80 100 120
43
100
80
58
60
40
20 71
114
40 60 80 100 120
43
100 O
80 E
60
97 112
40 69
20 55
40 60 80 100 120
88 Adams: Essential Oil Components by GC/MS
Z
O
OH
110
100
N O-Me
80
60 80 N
53 68
40
20 41
95
40 60 80 100 120
Appendix III: Mass Spectra 89
43
100
80 57
60
40
85
20 71
99 128
88
100
O
57
80
41
60 O
40 73 101
20
130
40 60 80 100 120 140
90 Adams: Essential Oil Components by GC/MS
48
100
80 O S
60
40 61 76
104
20
40 60 80 100 120
RT: 5.03 AI: 903 KI: 904 Ethoxy ethyl acetate <2->
CAS#: 111-15-9 MF: C6 H12 O3 FW: 132 MSD LIB#: 1749
CN: 2-ethoxyethyl acetate
Synonyms: cellusolve acetate, ethyl glycol acetate
Source: Baker Chem.
43
100
O O
80 O
60
40
59 72
20
87
RT: 5.05 AI: 904 KI: 905 Hydroxybutanoic acid lactone <4->
CAS#: 96-48-0 MF: C4 H6 O2 FW: 86 MSD LIB#: 1596
CN: 2(3H)-furanone, dihydro-
Synonyms: 4-butanolide, butyryl lactone, butyric acid lactone
Source: Aldrich Chem.
42
100 O
80
60 O
40
20 56 86
93
100
80
79 121
60 41
67
40
55 105
20
136
57
100
O
80
60 O
40 75
41
20
81
100
O
80 E E
60 41
53
40 67
96
20
43
100 71
80 O
60 57
O
40 89
20
101
42
100
N
80
108
60
N
40
20 81
52
40 60 80 100 120
Appendix III: Mass Spectra 93
95
100
80
60
40 110
43
20 67
51
40 60 80 100 120
55 100
100
80 O
E
60
OH
40 85
45
20
42
100 108
N
80
60
N
40
20
67 81
40 60 80 100
94 Adams: Essential Oil Components by GC/MS
43
100
80
60
40 70
55 61
20
41 55
100
E E
80 HO
83 98
60
69
40
20
107
100
80
60
40
53 80
20
41
40 60 80 100 120
Appendix III: Mass Spectra 95
108
100 OCH3
65 78
80
60
40
51
20 93
40 60 80 100 120
67
100
Z
80 O O
60
41
40
82
20 55
40 60 80 100 120
96 Adams: Essential Oil Components by GC/MS
43
100
O O
80
60
67
40 53
20
86 128
40 60 80 100 120 140
67
100
108 N
80
60 N
40 42
20 52
40 60 80 100 120
57
100 43
80
71 85
60
40
128
20
113
57
100 43
O
80
71 85
60
40
128
20
113
40 60 80 100 120
67
100
41 E O
80 57 O
82
60
40
20 99
128
40 60 80 100 120 140
55
100
80
41 83
60
40
67
20 95
123 138
40 60 80 100 120 140
98 Adams: Essential Oil Components by GC/MS
41
100 69
O
80
60 O
40
127
20 53 97
142
93
100
80
60
40 41
79
121 136
20 53 67 105
74
100
O
80 43
60 O
40 87
59
20 99
69
100 41 O
80
OH
60
40
99
20 55 114
40 60 80 100 120
93
100
80
41 105
60
67 77 121
53
40 E
20
114 136
93
100
80
60 77
40
20 41 53 136
65 105
105
100
80
60
40
120
77
20 51 91
57
100 O
80 71
43
60
86
40
20 99 128
55
100
O
80
E
60 43
97
40
112
20 69
40 60 80 100 120
74
100
OH
80
O
60
40
43
20 87
55
41
100
E OMe
80 68 74
60 O
59
40
128
20 97
87 113
71 113
100 N
80
S
60 45
40 85
59
20 53
98
40 60 80 100 120
55
100 83
80 E O
60
O
40 113
100
128
20
43
57
100
80 43
60 71
40
20 113
85
142
40 60 80 100 120 140
Appendix III: Mass Spectra 103
43 110
100 125
80 O
60 55
82
40 N
70
20
43 102
100 O
80
O
60 74
40
55
20 87 115
129
40 60 80 100 120 140
41
100
57 O
80
85
60 O
40
20
100
119
100
80
60
91
40 134
20 41 51 77
65 103
66
100
80
60
40
20
41 110
40 60 80 100 120
93
100
80
60
40 77
41
20 53 67 105 121 136
57
100 OH
80
O
60 73
41
40
20 83
OH
43
100
57 O
80
60 71
40 99
20 128
69
100 O
80 E
O
60 41
40
20 142
53 127
66
100
80
60
40
20
79 110
40 60 80 100 120
60
100 O
80
OH
60
41
40
20 87
73
43
100
O-Ac
80
60
40
87
20 55 69 129
40 60 80 100 120 140
41
100
80
55
60 67
82
40 95
20
123 138
40 60 80 100 120 140
108 Adams: Essential Oil Components by GC/MS
69
100 O
80
41
60
56
40 112
20 97
79
40 60 80 100 120
RT: 6.21 AI: 945 KI: 952 Methyl pent-2-enolide <4-> (impure)
CAS#: 20019-64-1 MF: C6 H8 O2 FW: 112 MSD LIB#: 194
CN: 2(5H)-furanone, 5,5-dimethyl-
Synonyms: 4,4-dimethyl-2-butenolide
Source: Armoise a davanone oil ex Guy Collin
43
100 97 O
69 O
80
60
40
20 53 112
82
40 60 80 100 120
93
100
79
80
60 41
121
40 107
67 136
53
20
93
100
80
60 121
41 79
40 67
107
20 53 136
41
100
E
55 83
80 O
60
70
40
20 97 112
40 60 80 100 120
HO Z
110 Adams: Essential Oil Components by GC/MS
88
100
41 O
80
60 O
60 99
40 71
20 115
129 144
40 60 80 100 120 140
43 61
100
HO OH
80
OH
60
40
20
73
60 80 100 120 140
61
100
O
45
80
60 HS OH
40 106
20
40 60 80 100 120
Appendix III: Mass Spectra 111
73 101
100
80
60
46 129
40 56
20
86
77
100 106 H O
80
60 51
40
20
40 60 80 100 120
91
100
80
60
40 41
20 51 65 78 119
105
134
40 60 80 100 120 140
112 Adams: Essential Oil Components by GC/MS
67 O
100
80
82 O
60
41 57
40
20
80 O
60
40
20 43 81
40 60 80 100 120
45
100
OH
80
60
40
55
20 69
84 97
E
OH
91
100 79
80 E
122
60
107
40 41
51 65
20
41
100 56 70
80
60
40
20
83
OH
Z
57
100 O
80
70 O
60
43
40
20 101
91
100
80
119
60
40 41 77
105 134
51
20 65
60
100 O
80 OH
60
73
40
41
20 87
124
100 N O-Me
80
60 42
68 106 N
40 81 95
54
20
95
100 O
80 O
OMe
60
40
126
20
45
100
80 61 HO S
106
60
40 73
20
88
40 60 80 100 120
55
100 41 95
80 67
60 81
40 109 123
20
138
93
100
80
60
77
40 41
20 53 69 136
121
83
100 55 O
80 43
O
60
40 101 127
20 142
OH
43
100
95
80 79
67
60
40 55 137
20 109 123
152
40 60 80 100 120 140 160
118 Adams: Essential Oil Components by GC/MS
55
100 70
80
60 O
40
43
20 97
83
71 OH
100
Z
80
60 43
40 57
20 85 95
128
40 60 80 100 120 140
75
100
OMe
80
60 MeO
40
20 45 55 115
83
57
100
80
60
O
40
85
41
20 142
55
100
80
97
60
40 41
81
20 69
140
57
100
80
OH
60
40 43
20 72
85
93
100
80
41
60
40 69
79
20 53 121 136
107
79
100
80 93
60
41
40 107 121 136
55 67
20
43
100
80 57
60 O
72
40 99
20
85 128
79
100
80 93
60
41 107
40 67 121 136
53
20
43
100
80
60
40 55
69 108
20
83 93
126
40 60 80 100 120 140
79 OH
100
67
80
94
41
60
40 55
20
40 60 80 100 120
122 Adams: Essential Oil Components by GC/MS
41 55
100
95
80 67
81
60
40
123
20 109
138
40 60 80 100 120 140
71
100
OH
80
E
60 43
40 57
20 85 95
128
40 60 80 100 120 140
41
100 55
O E
80
60 68 114
OH
40
20 99
40 60 80 100 120
Appendix III: Mass Spectra 123
79
100
80 93
60
41
40 121
107
53 67 136
20
43 69
100 OH
80 Me-O
60 87
O
40
20 57
127
40 60 80 100 120 140
95
100 81
80
60 41 67
40 55
123 138
20
109
81
100
80
60
40
20 53 138
41 95 O
41
100
80 55
60 70
40
83
20 97
111 140
40 60 80 100 120 140
81
100
O
80 OAc
98
60 43
52
40 140
20
69
41
100
80 93
60 69
40
20 53 79
136
40 60 80 100 120 140
59
100
80
60 83
41
40
101
20
129
40 60 80 100 120 140
109
100
80 O
60
43 79
40
94
20 124
49 67 152
131 137
40 60 80 100 120 140 160
126 Adams: Essential Oil Components by GC/MS
43
100
80
58
60
40
20 71
128
40 60 80 100 120 140
41
100 95
OH
80
60
69
40 55
20 110
81 128
59
100
80
60
40
43 69
20
129
40 60 80 100 120 140
Appendix III: Mass Spectra 127
45
100 90 OH
80 O
60
O
40 57 69
20
75
67
100
80 43
55 O
60
40 H
82 96
20 110
137
152
40 60 80 100 120 140 160
71
100 O
43
80
56 89 O
60
40
20
45
100
OH
80
60
40
55
20
97
105
100
80
60
120
40
20 51 77 91
41 65
69
100
80 E
O
60
O
40 87
20 56
43
127
40 60 80 100 120 140
Appendix III: Mass Spectra 129
71
100 N
80 127
86 S
60
40 59
45
20
88
100
43
80
60 99
60
40 70
20 115
144
40 60 80 100 120 140
41
100
O
80
57
60
40 84
69
20 100 110
81
100
O
80 S-Me
53
60
40 128
45
20
43
100
80 HO
E
60
59
40
85
20 67 97 139
121
43
100
57
80
60
40 71
85
20
99 142
42
100 N
80
60 122 N
40
20 81
54
79
100
80 93
41
60
121
40 53 67
108
20
136
93
100
80 121
60 77
41
40 136
53 105
20 65
43
100
E
80 O-Ac
60 67
40 82
20
54
93
100
80
60
77
40
136
20 41 65
51
121
100 N
80
60 N
40
42 67 80
20 52 94
107
93
100
80
60 79
41
40
67
53 136
20 107 121
41
100 69 O E
80
O
60
40
142
20 55 88
97
127
40 60 80 100 120 140
43
100 Z O-Ac
80
60 67
40
82
20
54
RT: 7.96 AI: 1005 KI: 1006 Cresol methyl ether <ο->
CAS#: 578-58-5 MF: C8 H10 O FW: 122 MSD LIB#: 1664
CN: benzene, 1-methoxy-2-methyl-
Synonyms: o-methyltoluene, o-methylanisole
Source: Aldrich Chem.; 0.44% Pistacia lentiscus, Chimika Chronika 10:119(1988);
0.17% Boswellia carterii
77
100 O-Me
107
80 122
60
91
40 51
63
20
81
100
E E O
80
60
40
41 53 110
20 67
40 60 80 100 120
73
100
O
80 E
OH
60 42
55
40
99
20 114
81
40 60 80 100 120
Appendix III: Mass Spectra 135
57
100 O
80
O
60
75
40 43
20
87
67
100
55
80
43
O
60
40 H
82 96
20 110 137
93
100
80
121
79
60
136
41
40
55 67
107
20
43
100
80
60
40 56
20 69 84
43
100
80 70 O
60
O
40 55
20 89
115
93
100
80
60
40 77
41
20 105 121 136
53 65
43
100
E
80 Ac-O
60
40 67
82
20 55 100
142
40 60 80 100 120 140
146
100 Cl
80
60
75 111
40 50
20 Cl
61 85
43
100
80
111
60 71
O
55
40
125
154
20 81
93 139
126
100
80
60 N S
40 45 71 141
20
99
55
100 83 E E
80 41 OH
60 68
40 112
20 94
40 60 80 100 120
93 121
100
80
60
77 136
40
43 51 105
20 65
43
100 N Ac
80
S
60
40 99
58 127
20 112
85
122 O-Me
100
80
60 77
107
40
91
51
20 65
41
100 O
69
80
O
E
60
97
40
142
20 53 113
127
40 60 80 100 120 140
140 Adams: Essential Oil Components by GC/MS
43
100 N Ac
80
60 N
52
80
40 122
94
20
40
20 97
40 60 80 100 120
41
100
80 69 O
Z
60
O
40 97
142
53 113
20
85 127
40 60 80 100 120 140
Appendix III: Mass Spectra 141
119
100
80
60
40
91 134
20 77
41 51 65 103
55
100 83 O
80
E O
60
40 41
95 125
20
140
74
100 O
80
43 O
60
40 87
55
20 101 113
105
100
80
60
120
40
20 51 77 91
41 65
95
100
80 67
60 41
40 55 81
138
20 123
119
100
80
60
40 91 134
20 65 77
41 51 103
68
100
80
93
60
79
40 41 53
20 107 121 136
93
100
80
60
40 77
41 136
20 53 65 121
93
100
80
60 68
40 41 79
53
20 107
121
136
43
100
80
O
60
71 81
40 108
55 93
139 154
20
125
79
100 OH
80 108
60
40 51
20 91
65
40 60 80 100 120
74
100
OH
80
60 O
40
43 87
20
55
79
100 N Ac
80 43
51
60 121
93
40
20
106
99
100 N
80
S
60
40 58
20 41 126
140
40 60 80 100 120 140
55
100
E
80
43 O
60
40 111
20 69 97 126
109
100
80 O
O
60
40 43 53 124
20
81
93
100
80
60
41 79
40
53 105
20 67 121
136
40 60 80 100 120 140
83
100 55 O
80
O
60
101
40
41 127
20
142
40 60 80 100 120 140
Appendix III: Mass Spectra 147
60
100
O
80
OH
60 43 71
87
40
20
97
43 55
100
80 111
O
67 O
60
40
83 98
20 126
59
100 OH
81
80
96
60
40 43
20 67
139
40 60 80 100 120 140 160
148 Adams: Essential Oil Components by GC/MS
91
100 O
80
60
40
65 120
20
51
99
100
80
60 43 O
40
55
20 69 81
141 156
40 60 80 100 120 140 160
43
100 O-Ac
80
60
40
20 56 87
70 98
55
100 O
80 E
97 O
60 41
40 73
20
81 114
127 142
40 60 80 100 120 140
122
100
80
60
40 65
76 93
20 50 104
O
150 Adams: Essential Oil Components by GC/MS
93
100
80
60 79
41
40
53 105 121
20 67
136
55 100
100 83 O
80 Z
O
60
40
20 43
156
40 60 80 100 120 140 160
82
100
80
60
54 O
40
110
20 41 67
40 60 80 100 120
Appendix III: Mass Spectra 151
57
100 85
80 41
60 69
O
40
20 97
139 154
40 60 80 100 120 140 160
55 OH
100
80
Z
60 41 68 81
40
20 95 110
128
40 60 80 100 120 140
152 Adams: Essential Oil Components by GC/MS
69
100
80 43 O
60
O
40
20 53
156
40 60 80 100 120 140 160
41 55
100 70 O
80
60 83
40
20 97
43 71
100 O
80
O
60
55
40
20 89
115
43
100 O
80 O
60
99 O
40
20 55 74 129
144
108
100
OH
80
60
79
40
51 90
20
63
40 60 80 100 120
41 82
100
80 67
60
40 55
20
140
40 60 80 100 120 140
154 Adams: Essential Oil Components by GC/MS
71 O
100
80 O
43
60
40
20 55
89
67 138
100
80
41 82 96
60
40 55
20 109
93
100
80
60
77
40 136
43 121
20 51 65 105
94 H
100
N
80 66 109
Ac
60
40
20 43 53
40 60 80 100 120
55 O O-Me
100
80 41
60
83
40
67 142
20 74 113
101 127
O
156 Adams: Essential Oil Components by GC/MS
97
100
S
80
60
40
20 45 140
53
79
100
80 107
60
43
40 51
122
20
63
OH
Appendix III: Mass Spectra 157
105
100 O
77
80
60
40 51 120
43
20
68
43
100
O O
80
O
60
85
40
57 103
20 69
41 O
100 55 Z O
80
60
67 82
40
20 73
57
100 HO E
80
60 41
40
68 81
20
95
128
40 60 80 100 120 140
91
100
H
80
120
60 O
40 65
20 51
43 E E
100 AcO
80
60
40 79
20 140
53 69 98
41
100
56
80
60 69
40 84
20
41 E
O O
100 55
80
60
67 82
40
20 73
91
100 H
80 119
O
60
40 65
20 51
67
100 Z
41 OH
80
60 55 81
40
20 95 110
128
40 60 80 100 120 140
RT: 10.20 AI: 1065 KI: 1070 Sabinene hydrate <cis-> (IPP vs. OH)
CAS#: 17699-16-0 MF: C10 H18 O FW: 154 MSD LIB#: 1438
CN: bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-,(1α,2α,5α)-
Synonyms: trans-4-thujanol; trans-sabinene hydrate (trans for Me vs. IPP, old name)
Source: Strobilanthes oil ex P. Weyerstahl; 25.00% Majorana hortensis, FFJ 2:55(1987);
21.53% Origanum rotundifolium; 10.81% Origanum micranthum
43
100
OH
80 71 H
60 93
40 55 81 111
121
20 139
154
43
100
55 Ac O
80
111
60
93
40
67
81
20
126 139
40 60 80 100 120 140 160
Appendix III: Mass Spectra 161
RT: 10.29 AI: 1067 KI: 1072 Linalool oxide <cis-> (furanoid)
CAS#: 5989-33-3 MF: C10 H18 O2 FW: 170 MSD LIB#: 988
CN: 2-furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, cis-
Synonyms: linalool oxide B
Source: Lavender oil ex Firmenich ex AF Thomas; 17.17% Magnolia purpurella, p. 204,
in: Aromatic Plants & Essential Constituents, Peace Book Co., Hong Kong(1993);
14.60% Osmanthus fragrans; 11.50% Cinnamomum camphora
59
100
43
80
O
60 94
40 49 68
84 111
20 155
121 137143 OH
79
100
80
60
93
40 107
41 121
20 51 65 136
OH
99
100
80
O
60 43
40
55
20 69 81
156
40 60 80 100 120 140 160
59
100
80
60
40 43
20 67 83 123
91
100 H
80
136 O O
60
79
40 51 65 107
20
107 OH
100
80
60
40 77
20 51
63 90
40 60 80 100 120
108 OH
100
80
60
40 79
20 51 90
63
40 60 80 100 120
164 Adams: Essential Oil Components by GC/MS
60
40
20 45 55
97 129
67
100 H
80 O
41
60 107
95
55 79 123
40 138
20
91
100
119 H
80
60 O
40 65
20 51
41
69
100
80
41
60
40
138
20 55 95
81
43
100
N Ac
80
93 136
60
N
40 67
52
108
20
43
100
O
80
60 O
99
71
40
55
20
113 127
40 60 80 100 120 140 160
166 Adams: Essential Oil Components by GC/MS
85
100
80
60
40 41
20 55 67
45
100
80
60
40
91
20 65 136
51 77 104
43 O
100
80 O
123
60
40 138
81
20 53
95
121
100
136 N
80
60 N
40 80
41 52 107
20
65
RT: 10.80 AI: 1081 KI: 1084 Hexenal <(2Z)->, diethyl acetal
CAS#: 87383-46-8 MF: C10 H20 O2 FW: 172 MSD LIB#: 804
CN: 2-hexene, 1,1-diethoxy, (Z)-
Synonyms: 1,1-diethoxy-2Z-hexene
Source: Bedoukian Res. ex Art Tucker
57 O-Et
100
Z
80 O-Et
127
60 85
41
40
69 75
20 103
143 172
40 60 80 100 120 140 160 180
132
100 117
80
60 91
40
51 65
20
41 77
54
100
N
80 136
42
60
N
40
20
95
81
100
80
60
69
40 41
20 152
53 109 137
40 60 80 100 120 140 160
81 O
100
O
80 O
60
40 98
52 154
20
41
RT: 10.89 AI: 1084 KI: 1086 Linalool oxide <trans-> (furanoid)
CAS#: 34995-77-2 MF: C10 H18 O2 FW: 170 MSD LIB#: 989
CN: 2-furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-,trans-
Synonyms: linalool oxide A
Source: Lavender oil ex Firmenich ex AF Thomas; 21.10% Osmanthus fragrans,
Rastit. Resur. 22:243(1986); 10.80% Cinnamomum camphora; 7.89% Magnolia purpurella
59
100
43
80
60 94
O
40 49 68
84 111
20 155
121 137143
OH
40 60 80 100 120 140 160 180
100
100 O
Z
80
55 O
60
83
40
41
20 156
83 O
100
O
80 55
41 126
70 97
60
40
20
111
93 121
100
80
79
60
41 136
40
53 107
20 67
111
100
80 S
Ac
60
40 126
43
20 57 83
93
100 121
80 136
60 79
43
40
58 105
20 67
109
100
81
80
124
60
40 53
20 63
47 E O
100
103
80 O
60 75
40
41 55
20 81 127
69
43 O
100
58
80 (CH2)6-CH3
60
40
20 71
127 142
40 60 80 100 120 140
172 Adams: Essential Oil Components by GC/MS
41
100 OH
80 69
55
60
119
40 91
79 109 137
20
66
100
80
43
60
40
20 81 91 152
105
100
80
77
60
136
40 51
20
43 O
100
71
80 89
O
60
40
55
20
132 144
40 60 80 100 120 140 160
117 132
100
80
60 91
40
20 41 51 65 81
105
40 60 80 100 120 140
RT: 11.11 AI: 1090 KI: 1091 Hexenyl methyl carbonate <(3Z)->
CAS#: 67633-96-9 MF: C8 H14 O3 FW: 158 MSD LIB#: 2045
CN: carbonic acid, (3Z)-3-hexenyl methyl ester
Synonyms: none
Source: Bedoukian Res.
O
67
100
Z
80 O OMe
60 82
40 41
20 55
79
100
80 41
59
60
71
40 O
53
20 85 93
137
40 60 80 100 120 140 160
47
100 O
103
80
Z O
60 75
40
41 55
20 81 127
69
137
100
80 O
N
60
N
40 152
124
20 68 95 105
42 52 81
101
60
40
41
20
56 O
100 85
41
80 O
103
60
40
73
20
129
40 60 80 100 120 140 160
60
140
40 125
20 55 111
66
100
O-Ac
80
43
60
40
20
81 91 152
40 60 80 100 120 140 160
126
100
80 N S-Me
60
52 84
40 45
N
73
93
20
66 111
57 67
100
O
80
Z
82
60 O
40
41
20
93
100
80 108
60 O
40
77
20 41 51 65
135 150
40 60 80 100 120 140 160
71
100 43 OH
80
93
55
60
40 80
121
20
107 136
154
40 60 80 100 120 140 160
41 O
100 Z
80
60 55
40 67 81
20 93 122
88
100
80
43
60
40 60 113
70 101
20
129 158
40 60 80 100 120 140 160
45 HO
100
80
60
40
20 55 69
126
40 60 80 100 120 140
RT: 11.41 AI: 1098 KI: 1098 Sabinene hydrate <trans-> (IPP vs. OH)
CAS#: 15826-82-1 MF: C10 H18 O FW: 154 MSD LIB#: 1439
CN: bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1α,2β,5α)-
Synonyms: cis-4-thujanol; cis-sabinene hydrate (IPP vs. Me, old name)
Source: Strobilanthes oil ex P. Weyerstahl; 85.30% Mentha candicans, Ag. Biol.
Chem. 42:433(1978); 26.20% Lippia ukambemsis; 10.00% Thymus pinewood
43
100 HO
80 H
60 71
93
40 55 81
111
121 139
20
154
40 60 80 100 120 140 160
Appendix III: Mass Spectra 179
43
100 AcO Z
80
54
60
81
40 96
67
20
RT: 11.42 AI: 1098 KI: 1098 Hexenal <(2E)->, diethyl acetal
CAS#: 67746-30-9 MF: C10 H20 O2 FW: 172 MSD LIB#: 803
CN: 2-hexene, 1,1-diethoxy-, (E)-
Synonyms: (E)-1,1-diethoxy-2-hexene
Source: Bedoukian Res. ex Art Tucker
57 O-Et
100
E
80 O-Et
127
60
40 41 85
20 69 99
143 171
40 60 80 100 120 140 160 180
73
100
80
60
40 43
55
20 111 129
143
40 60 80 100 120 140 160
180 Adams: Essential Oil Components by GC/MS
117
100
80 132
60
40
91
20 51 65 77 105
67
100 O
80 41
60 109
55 83
40 93 137
20 119
152
40 60 80 100 120 140 160
67
100 H
81
80 96
138
41
60
40 55 H
109
20
43 57
100
80
60
71
40
85
20
98 127 156
68
100
80 41
60
40
57 85
20
79 93 136
40 60 80 100 120 140 160
70
100 O
80 43 57
O
60
40 85
103
20
129 144
40 60 80 100 120 140 160 180
182 Adams: Essential Oil Components by GC/MS
RT: 11.50 AI: 1100 KI: 1100 Methyl butyl-2-methyl butyrate <2->
CAS#: 2445-78-5 MF: C10 H20 O2 FW: 172 MSD LIB#: 1698
CN: butanoic acid, 2-methyl-, 2-methylbutyl ester
Synonyms: none
Source: Aldrich Chem.; 12.00% Anthemis nobilis, Essenze Deriv. Agrum. 93:107(1973);
0.54% Myrtus communis (unripe fruit); 0.40% Achillea wilhelmsii (Egypt)
57
100 85
70 O
80
60 O
43
40
20 103
144
40 60 80 100 120 140 160 180
41
100 O
69
80
60 81
40 53
150
20
94 135
41 O
100 57
(CH2)7-CH3
80
60
40 70
82 98
20
114
57
100 O
80
41 O
60
75
40
69 84
20
129
40 60 80 100 120 140 160
43 Z
100 Ac-O
80
60
40
54
20 67 81
96 114
81
100 41
H O
80 67
110
60 95
55
40
20
152
137
40 60 80 100 120 140 160
184 Adams: Essential Oil Components by GC/MS
105 O
100
80
60
40
79
20 51 91 134
81 E E
100 O
80
60
40 41
20 53 67 124
95
41 S
100
S
80 150
60
108
40
20
58 64 73 79
70 O
100
80 43 O
60 57 85
40
20 103
95 113 131 150 159 169
40 60 80 100 120 140 160 180
43 123
100 95 O
80 81
60 67
55
40
20
109 137
40 60 80 100 120 140 160
57 O E
100
80 O
60
40
67
20 41 82
127 156
40 60 80 100 120 140 160
186 Adams: Essential Oil Components by GC/MS
RT: 11.65 AI: 1103 KI: 1104 Methyl butyl isovalerate <2->
CAS#: 2445-77-4 MF: C10 H20 O2 FW: 172 MSD LIB#: 1689
CN: butanoic acid, 3-methyl-,2-methylbutyl ester
Synonyms: isovaleric acid, 2-methylbutyl ester
Source: Aldrich Chem.
85
100
O
80 70
60 57 O
43
40
20 103
130 142
40 60 80 100 120 140 160 180
43
100 97 E
80 55 69 111 O
139
60
83 121
40
20 154
69 O
100
80 41
60
81
40 55
95 138
20
110
67
100
H
80
O
60 41
55 95
40 81 107
138
20 123
107
100
122
80
60
77
40 91
51
20 41 65
91
100
80
60
40
65 122
20 51 77
RT: 11.77 AI: 1106 KI: 1108 Leaf alcohol <ethyl acetal->
CAS#: 28069-74-1 MF: C10 H20 O2 FW: 172 MSD LIB#: 2116
CN: 3-hexene, 1-(1-ethoxyethoxy)-, (3Z)-
Synonyms: leaf acetal
Source: Bedoukian Res.
73
100 O
80 45
Z O
60
40
55
20 83
67
127
40 60 80 100 120 140 160 180
126 O
100
80 43
71 OH
60
55
O
40
97
20
139
100
80 69
60
41 55
40 83
20
97 131 154
122
100 O E O
65
80
94
60
40
20
51
91
100 119
80 134
60
40 41 77 105
20 51 65
121
100
80
60
77
40 Me-O O-Me
91
20 51 105
152
40 60 80 100 120 140 160
190 Adams: Essential Oil Components by GC/MS
43
100
80
60
40
20 54 99
67 81 128
40 60 80 100 120 140 160 180
93
100
108
80
60
HO
40
41 77
20
53 59 65 119 137
40 60 80 100 120 140 160
43 E
100
Ac-O
80
60
40
54
20 67 81
96 114
111
100
43
80 Z
55 97
69
60
O
121 139
40 79
20 154
105
81
100 41
110 H
80 67 95
O
60
55
40
20 152
137
40 60 80 100 120 140 160
43 O-Ac
100
80
60
40 56 70
20
98
68 O
100
41
80 O
60
57
40 85
20 79
131 152 164
40 60 80 100 120 140 160 180
41 55 E E
100 83 OH
80 67
60
40
126
20 97 108
81
100
80
60 43
40
55 69
20 93 111 121
139 154
40 60 80 100 120 140 160
Appendix III: Mass Spectra 193
40 41
51 65
20 108
136
82
100
80
60
40 O
54 138
20 41
67 95
81
100
80
60 43
40
55 69
93 111
20 121
139
154
40 60 80 100 120 140 160
194 Adams: Essential Oil Components by GC/MS
43
100 OH
80
60
40 93
71 79 111 139
55 121
20
154
RT: 12.30 AI: 1119 KI: 1122 Ethyl hexanoic acid <2->
CAS#: 149-57-5 MF: C8 H16 O2 FW: 144 MSD LIB#: 751
CN: hexanoic acid, 2-ethyl-
Synonyms: 2-ethyl caproic acid; butyl ethyl acetic acid
Source: Grob mixture for G, Alltech Assoc.; 0.10% Lawsonia inermis (flower), JEOR 7:425(1995);
0.02% Hedychium coronarium; 0.01% Malus arnoldiana
73
100
88
80
60
41
40 57
20 101 116
138
40 60 80 100 120 140
59
100
80
43
60
79
40 68 93
20 53 121
107 136
43 OH
100
80
79
60 94 109
40 67
55 121 137
20
152
40 60 80 100 120 140 160
43
100
OH
80
60 99
71 93
40 55 81
20 121
111 136
40 60 80 100 120 140 160
43
100
80 O-Ac
60
40
20 55 83 101
70 112 143
131
40 60 80 100 120 140 160 180
196 Adams: Essential Oil Components by GC/MS
117 O OH
100 43
80 71
O
60
40 55 89
20 97
131 142 159
40 60 80 100 120 140 160 180
139
100
80 69
60
41
40 55
83
20 154
131
40 60 80 100 120 140 160
41
100 CH2(CH2)7CH3
81
80 67
60 55
40
95
20
109
108
100
93
80
60
40 41 67
55 77
20
137 152
40 60 80 100 120 140 160
74 O
100
80 O
60
43 87
40
55
20
101 115 127
107
100
80 91
60
40 79 122 O
41
20 53 65
135 150
87
100
80
N-OH
60
40 41
56
20 70 114
128
40 60 80 100 120 140
43
100
O-Ac
80
60
40 66
79 94
20
55 111
126
40 60 80 100 120 140 160
43
100
O-Ac
80
60
66
40
94
20 79 111
55
126 139
40 60 80 100 120 140 160
Appendix III: Mass Spectra 199
41 H O(CH2)7CH3
100
80 56
O
60 70
84
40
20
55 O
100 101
83
80 O
E
60
40 41
20
141 156
121
100
80 E Z
60 79 105
91
41 136
40
20 53 65
79 O
100
80 Z
60
40 41
20 53 93
71
134
40 60 80 100 120 140 160
81
100 43
80
60
40 58 121 136
93 107
69
20
154
40 60 80 100 120 140 160
57 O
100
80 O
60 82
67
40
41 75
20
127
40 60 80 100 120 140 160
Appendix III: Mass Spectra 201
109
100 41
80 69
60 55
40
138
20 81 123
95
79
100
80
60
40 41
53
20 71 93
RT: 12.88 AI: 1132 KI: 1136 Limonene oxide <cis-> (Me vs. IPP)
CAS#: 13837-75-7 MF: C10 H16 O FW: 152 MSD LIB#: 1007
CN: 7-oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-,(1α,4α,6α)-
Synonyms: p-menth-8-ene,1,2-epoxy-,cis-; 1,2-epoxydipentene
Source: Aldrich Chem.
43
100 O
80
60 67
40
79 93 109 137
20 55
123
152
40 60 80 100 120 140 160
202 Adams: Essential Oil Components by GC/MS
108
100
N
80
60 N
40
20 41 67 135
53 150
40 60 80 100 120 140 160
43
100 OH
80
109
60 79 134
40 67 91
55 119
20
152
40 60 80 100 120 140 160
117
100
N
80
60
90
40
20 51 63
77
43
100
80 H OH
93
55
60
81
40 67 121
20 107
136
71
100 OH
80
43
60
40
98
20 58 81 123 141
156
40 60 80 100 120 140 160
108
100
80
60
43
40
77
20 51 90 150
41 55
100
92 OH
80
70
60 83
40 119
109 134
20
83
100
55 O
80
41
60
95
40 67
109
20 123
138
43
100
80
60
40 93 139
69
55 83 111 121
20
154
40 60 80 100 120 140 160
Appendix III: Mass Spectra 205
41
100
94
OH
80 109
59 79
60
67
40
119
20 137
150
40 60 80 100 120 140 160
69
100 O
80 41
O
60
40 57
20
85
170
40 60 80 100 120 140 160 180
79 O
100
80 E
43
60
40
53 91
20 67
109 134 152
40 60 80 100 120 140 160
206 Adams: Essential Oil Components by GC/MS
RT: 13.10 AI: 1137 KI: 1142 Limonene oxide <trans-> (Me vs. IPP)
CAS#: 4959-35-7 MF: C10 H16 O FW: 152 MSD LIB#: 1008
CN: 7-oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1α,4β,6α)-
Synonyms: 1,2-epoxy-trans-p-menth-3-ene
Source: Aldrich Chem.
43
100 O
80
60
67
94
40 79 108
55
20
137 152
40 60 80 100 120 140 160
RT: 13.10 AI: 1137 KI: 1142 Sabinol <trans-> (trans for OH vs. IPP)
CAS#: 471-16-9 MF: C10 H16 O FW: 152 MSD LIB#: 1367
CN: bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1S,3R,5S)-
Synonyms: 4(10)-thujen-3-ol, cis- [(-) trans-sabinol, 29606-76-6, shown]
Source: ref. cpd. ex P. Weyerstahl; 14.73% Artemisia kawakamii, p. 279, in: Aromatic
Plants & Essential Constituents, Peace Book Co., Hong Kong(1993);
7.00% Artemisia persica; 3.21% Artemisia absinthum
92
100
80 41 H OH
60 81
55
40
67 109 119
20 134
79
100
80
60
94
40
20 41 53 147
65 105 133 162
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 207
43
100 OH
80
93
60 99
71
40 55 81
121
20 111 136
95
100
80
60 67
41
40
20 109
137 152
121
100
80 E E
60 79 105
91
40 41 136
20 53 65
43
100 OH
71
80
93
60
40 55 107 121 136
84
20
41
100
80 69 O
60
40
53
81 109
20 91
109
100
41 OH
80
81
60 94
55 67
40
119
20 137
152
40 60 80 100 120 140 160
Appendix III: Mass Spectra 209
85
100
80
60
41
40
20 55 67
134 152
40 60 80 100 120 140 160
68
100
O
80
96
60
O
40 152
41
20 109
53 137
79
100
80
60
40 41
53
20 93
134 152
40 60 80 100 120 140 160
210 Adams: Essential Oil Components by GC/MS
95
100 41
80 81
60 55
69 O
40 108
152
20
137
40 60 80 100 120 140 160
138
100
95
80 77
60 123
52
65
40 41
20
67 O
100 43
80 O
82 Z
60
40
55
20
59
100
80
60
40
OH
20 43 81 123 141
40 60 80 100 120 140 160
100
100
80 43 55 O
Z
60 83 O
40 71
20 170
41
100
80
67
55
60 81
95 121
40
111
136
20
154
123
100
OH
80
81
60 139
40 41
55 67 91
20 154
107
41 H
100 Z
80 55 O
60 70
83
40
20 96
43
100
71
80
OH
60
40
86 96
55 111
20 136
121
154
40 60 80 100 120 140 160
41
100
80
55 67
60 81
93 121
40 111
136
20 154
83
100
80
60 55
40 O
20 41
150
40 60 80 100 120 140 160
214 Adams: Essential Oil Components by GC/MS
43
100
80
60
40 139
59
20 81 121
67 95
154
40 60 80 100 120 140 160
107
100
80
60 91
O
40 79
41 150
20 53 65 122 135
134
100 Z
80
91 OH
60
119
40 51 77
105
63
20
43
40 60 80 100 120 140
Appendix III: Mass Spectra 215
43
100
80
60
89
40 56 71
20
129
40 60 80 100 120 140 160 180
43
100
H
80 OH
55 93
60 121
40 67 81
107 136
20
41 O
100
69
80 O
60 57
40 85
20
128 170
40 60 80 100 120 140 160 180
216 Adams: Essential Oil Components by GC/MS
95
100
80
67
60 41
40
109
152
20
53 137
112
100 41
69
80 55
60
139 O
40 97 154
83
20
125
41
100
80
69
60
O
40 55 95
20 84 111 121
139 154
40 60 80 100 120 140 160
Appendix III: Mass Spectra 217
RT: 13.59 AI: 1149 KI: 1153 Ethyl hexyl acetate <2->
CAS#: 103-09-3 MF: C10 H20 O2 FW: 172 MSD LIB#: 673
CN: acetic acid, 2-ethylhexyl ester
Synonyms: 2-ethylhexyl ethanoate
Source: Aldrich Chem.; 1.10% Alpinia katsumadai (seed), JEOR 2:259(1990);
0.10% Alpinia chinensis (flower)
43 O
100
80 O
60
70
40 57
20 83
67
100
80 E Z
41 HO
60
55
40 79 93
20 109
140
40 60 80 100 120 140
43
100
H
80 OH
55 93
60
40 81
67 121
20 107 136
99
100
O
80 43
O
60 56
117
40 71
20
87
129 142
40 60 80 100 120 140 160 180
41 H
100 Z
E
80
O
60
70
40
20 53
91
100
80
60
40
148
20 41 65
51 78 105
133
40 60 80 100 120 140
Appendix III: Mass Spectra 219
41
100 HO Z
55
80
68
60
81
40
95
20
92
100
80 59
60
40
43
20 65
51 117 135
68
100
80
83
60 41
40 53
20 96
137 152
40 60 80 100 120 140 160
220 Adams: Essential Oil Components by GC/MS
41
100
67
80 95
81
60 152
109
40 53
20 137
119
41
100
80 67 79
60
55 123
40 91 109
137
20
152
40 60 80 100 120 140 160
81
100
80 41
55 67 95
60
40
20 109 123
138
41
100
80
67
55
60 121 OH
81 95
40 111
136
20 154
121 O
100
80
60
40 136 OH
65
43 93
20
53 77
95
100
80 OH
60
41
40
55 67 110
20 121 136
82
43
100 107
N
80
60 150
52 N Ac
40 80 132
20
66 121
71
100
80
43
60
40
98
20 58 81 123 141
156
40 60 80 100 120 140 160
79
100
80
60 91
40 150
41
20 65 107
51 135
40 60 80 100 120 140 160
Appendix III: Mass Spectra 223
41
100 H
80 E
55
O
60 70
83
40
20 96
43
100
80 57 71
60
40
85
20 97
140
40 60 80 100 120 140 160
108
100
80 91
43
60
40 79 150
51 65
20
138
40 60 80 100 120 140 160
224 Adams: Essential Oil Components by GC/MS
112
100 41
69
80 55
60
139
40 97 154
83 O
20
125
108
100
80
60
40 43
77
20 51 150
63 90
55
100
41 83
80
69
60
O
40
20 95
152
HO
41 Z E
100 OH
80
60
40 69
54
20 79 93
109
57 O
100
E E
80 O
60
40
79
20 41 154
108
100
80
60
40 150
79
20
41 91
135
40 60 80 100 120 140 160
41
100
80 81
60 67 91 109
55
40 121
20 137
152
41
100 67
Z
80 81
60 109
53 91 O
40
20 119
137 152
40 60 80 100 120 140 160
Appendix III: Mass Spectra 227
53
100
80 41 81
60 108
40 135
69
20 91 122 150
59
100
80
60
40 OH
20 43 81 141
40 60 80 100 120 140
123
100
80
138
60
40 95
20 41 63
52 80
71
100
81
80 41
95
60 55
40 123
OH
20 138
109
59
100
80
60
40 43 81 OH
93
20 67 136
57 Z (CH2)5-CH3
100 HO
80
60 41
40
68 82
20 95
124
57 E
100 HO
80
60
41
40
68 82
20 95
142
40 60 80 100 120 140
106 121
100
80
60
40 77
51 91
20 42 65
91 E
100
80 79
60 148
41
40 105 119
20 51 65
133
55 O
100
E
80 41 87 MeO
60
40 113
68 74 96 124
20
141 156
40 60 80 100 120 140 160
41 Z
100 OH
80 67
60 55
95
40 82
20
124
142
40 60 80 100 120 140
43
100
H OH
80
55 95
60
81 121
40 67
20 110 136
138
100
80
60 78 109
65 95
40 41
52
20
OH
41
100 56
80
70
60
40 83
97
20
126
40 60 80 100 120 140
232 Adams: Essential Oil Components by GC/MS
41 69
100
80
60
40 111
93
20 53 81 123
136
40 60 80 100 120 140 160
59
100
79 94
80
60
40 43
20 65
53 105 121 139 152
40 60 80 100 120 140 160
43
100
80
55 70 84
60
40 OH
20 93
121 136
40 60 80 100 120 140 160
Appendix III: Mass Spectra 233
134
100
80
60 91
OH
40
51 77 105 115
20 65
108
100
80
60
40
43
20 77 150
51 90
110
100 O
80
60 67
40 41
20 53 81 95 166
151
40 60 80 100 120 140 160 180
234 Adams: Essential Oil Components by GC/MS
60 O
100
80 OH
73
60
40 43
84 101
20
115
144
40 60 80 100 120 140
41
100
67
80
60 55 81 121
40 95
111
136
20 154
108
100
80
91
60
O
40 41 79
20 53 65 135 150
122
71
100
81
80 41
95
60 55
OH
40 123
20 138
109
O
N
79 Z
100 136 O
80
108
60 O
51 68
40
20
43 90
105
100 O O-Et
80
60
77
40 122
150
51
20
135
40 60 80 100 120 140 160
85
100
80
60
40 43
127
20
137
40 60 80 100 120 140 160 180 200
123
100
OH
80
81
60 139
40 41
55 67
20 91 154
105
81
100 O
80 O
O
60
40 98
43 53 168
20 71
RT: 14.52 AI: 1170 KI: 1174 Linalool oxide <cis-> (pyranoid)
CAS#: 14009-71-3 MF: C10 H18 O2 FW: 170 MSD LIB#: 1010
CN: 2H-pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-,cis-
Synonyms: (Z)-pyranoid linalool oxide; linalool oxide D
Source: Clarkia breweri flower oil ex RA Raguso, Ariz.(ex Flath, USDA)
68 O
100
59
80 43
HO
60 94
40
79
20
137143 155
40 60 80 100 120 140 160 180
43
100
80
O-Ac
60
95
40
59
20 67 101 138
79 121
41 55
100 69
80 83
60 O
40 95
20
132 152
40 60 80 100 120 140 160
RT: 14.60 AI: 1172 KI: 1176 Phenyl ethyl formate <2->
CAS#: 104-62-1 MF: C9 H10 O2 FW: 150 MSD LIB#: 1278
CN: formic acid, 2-phenylethyl ester
Synonyms: benzylcarbinyl formate
Source: ICN Chem. ex Art Tucker; 0.93% Gardenia jasminoides (absolute),
JEOR 8:281(1996); 0.10% Narcissus tazetta (absolute); 0.10% Hyacinthus orientalis
104
100
80
60 91
40
20 65
51 78
RT: 14.64 AI: 1173 KI: 1176 Linalool oxide <trans-> (pyranoid)
CAS#: 41720-62-1 MF: C10 H18 O2 FW: 170 MSD LIB#: 462
CN: 2H-pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R-trans)-
Synonyms: linalool oxide C
Source: Clarkia breweri flower oil ex RA Raguso; 12.21% Magnolia purpurella, L-F . Zhu
etal., p. 204 in Aromatic Plants and Essential Constituents, Peace Book Co. Hong Kong (1993);
2.00% Lavendula angustifolia; 1.66% Clerodendrum fragrans
68
100 O
59
80 43
60 94 HO
40
79
20
137143 155
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 239
95
100
80
60 O
O
41
40
79
20 67 123 151 166
51 107 133
40 60 80 100 120 140 160 180
71
100
80
43
60 93 111
40
55 OH
86
20 77 136 154
43 O
100
80 O O
60
40
70
55
20 85
75
100
80
60
40
20 41 47 69
55 143
RT: 14.73 AI: 1175 KI: 1178 Benzene acetic acid, methyl ester
CAS#: 101-41-7 MF: C9 H10 O2 FW: 150 MSD LIB#: 271
CN: benzene acetic acid, methyl ester
Synonyms: methyl phenylacetate; methylα-toluate
Source: Pfaltz & Bauer ex H. Hills
91 O-Me
100
80 O
60
40 150
20 65
101 O
100
O
80 O
60 129 O
40
55
45 73
20
147
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 241
43
100
80
60
135
40
128
20 91
65 150
43
100
80 70
60 55
40 84
20 95
121 136
40 60 80 100 120 140 160
41
100 55 85
80
60
93
40 69
121 OH
20 107 139
57
100
80
OH
60
40
43 72
20 85 127
40 60 80 100 120 140 160
41
100 81 O
67
80 E
60
53 109
40 91
20 119
137 152
40 60 80 100 120 140 160
93
100
80
43
60 121 164
40 79
105
20 53 65
131 149
128
100
80
60
40
20 51 102
63
81 94
O
100
O
80 Et-O
60
40
41 53 168
20 67 123
139
95
100
80 HO
60
40 43
108
20 55 69 135
85 150 168
40 60 80 100 120 140 160 180
244 Adams: Essential Oil Components by GC/MS
43 O
100
80 O
60
113
40 55
85
20 69 100
127 141
40 60 80 100 120 140 160 180
RT: 14.89 AI: 1179 KI: 1182 Heptenal <(4Z)->, diethyl acetal
CAS#: 18492-65-4 MF: C11 H22 O2 FW: 186 MSD LIB#: 791
CN: 3-heptene, 7,7-diethoxy-, (Z)-
Synonyms: none
Source: Bedoukian Res. ex Art Tucker
47 O-Et
100 Z
80 103
41 75 O-Et
60
95
40 69
55
83 111
20 129 141
119
100
80 91
60
40 134
65
20 43
51 O
43
100
80
60
135
40
20 91
65 150
71
100
80 41
81 95
60 55
40
123
20 138
109
124
100
80
60
40
94
81 151
20 41 53
135 166
40 60 80 100 120 140 160 180
246 Adams: Essential Oil Components by GC/MS
121 O
100
65
80
O
43 136
60
94
40
20
51 77
43 O
100 55
O Z
80
60
82 O
40 67
20
127
40 60 80 100 120 140 160 180
79
100
80
60 43
40 107
51 91 135
20 65
150
40 60 80 100 120 140 160
Appendix III: Mass Spectra 247
41
100
55 92
80
60 70
83
40 119 OH
109 134
20
41
100 55 85
80
60 93
69
40
121 OH
20 107 139
97 O O
100
57
80
60 HO
41 69 142
40 85 113
20
96
100
80 41
60 67
40
81
55
20 138
123
107
100
135
80
150
60
40 91 O
53 79
20 41 65
82
60
40
20 55
137 H
100 O
80
60 41 69
109 H
40
55 79 91
20
124 152
40 60 80 100 120 140 160
71
100
80 81
41 95
60 55 OH
40
123
109 138
20
55 O
100
41
80 EtO
E
60 67 82
88 96
40
124
20
141 170
40 60 80 100 120 140 160 180
57
100
80 O
60
72
40 43
127
20
85
156
40 60 80 100 120 140 160
56
100 43
99 117
80
60
40 71
89
20
131 143
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 251
59
100
80
60 43 93
121
40 81 136
67
20
107
OH
41
100
80 55
60 69
83
40
97
20 111
140 168
40 60 80 100 120 140 160 180
252 Adams: Essential Oil Components by GC/MS
85
100
41
80
55
60
69
40
95 139
20 121
111
103
100 O
80
O
60 47
40 55 75
143
20 97
69 85
RT: 15.26 AI: 1188 KI: 1189 Heptenal <(4E)->, diethyl acetal
CAS#: 18492-66-5 MF: C11 H22 O2 FW: 186 MSD LIB#: 792
CN: 3-heptene, 7,7-diethoxy-, (3E)-
Synonyms: 3-heptene, 7,7-diethoxy-
Source: Bedoukian Res. ex Art Tucker
47
100
OEt
80 103
41 75 E
60
69 OEt
40 95
55
83 111
20 141
129
123
100
138
80
60 95
67
40 55 77
41
20
107
69 O
100
Z
80 O
60 41
55 83
40
20 125
100 168
134
100
80
91
60 77 HO
51 119
40 105
20 63
41
120
100 O
80
92 O-Me
60 152
40 OH
65
20 53
137
40 60 80 100 120 140 160
43
100
58 O
80
60
40
71
20
127 141 156
40 60 80 100 120 140 160
O
E
Appendix III: Mass Spectra 255
43
100
80 71
89
60
56
40
20
129
40 60 80 100 120 140 160 180
67
100
80 41
95
60
55 81
40 109
20 137 152
121
41
100
80
79 93
60 55 67 107
121
40 136
20
154
40 60 80 100 120 140 160
256 Adams: Essential Oil Components by GC/MS
RT: 15.45 AI: 1192 KI: 1193 Phenyl ethyl acetate <1->
CAS#: 93-92-5 MF: C10 H12 O2 FW: 164 MSD LIB#: 1275
CN: benzenemethanol, α-methyl-, acetate
Synonyms: phenylethyl acetate, α-; gardenol; styralyl acetate
Source: Pfaltz & Bauer ex A. Tucker; 1.22% Gardenia jasminoides, JEOR 8:241(1996)
43 O
100
80 104 O
122
60
77
40 51
20 164
63
149
40 60 80 100 120 140 160 180
41
100
80 79 107
93
60 55 67 121
136
40
20
154
40 60 80 100 120 140 160
41
100
80
55 84
60
40 67
20 98 110
136
40 60 80 100 120 140 160
Appendix III: Mass Spectra 257
71 O
100 E
80 43 O
60
40 55
20 82
128 141 170
40 60 80 100 120 140 160 180
43
100 56
80 70
60
40
84 97
20 112
55
100
O
80
41 111
60
40
69 83
20 95 154
79
100
80
60
41 91
40
108
20 55 67
119
135 152
40 60 80 100 120 140 160
79
100
H O
80
60 107
41
40 91
53
20 66
117 135
150
40 60 80 100 120 140 160
136 O
100 O
80
60 77
107
40 65
51 92
20
148 O-Me
100
80
60
40 121
77
91 105 133
20 51
63
41
84
100
80
60
41
40 OH
55 139
20 93
71 77 111
154
40 60 80 100 120 140 160
81
100
67
80 41
O
60 55
40 109
95 121 152
20
134
59
100
80 69
60
41
40
20 111 129
83 140
40 60 80 100 120 140 160
41
100 H
80
60 55 84 E
O
40 67
20 98 110
136
41 95
100
O
55
80
123
66 79
60 MeO
40
111
20 139
153
40 60 80 100 120 140 160
Appendix III: Mass Spectra 261
121
100
80 OH
60
40 91
77 136
103
20 51 65
88
100 O
80
O (CH2)6-CH3
60
41 57
40 101
70 127
20 115
143 157 172
40 60 80 100 120 140 160 180
91 107
100
O
80
60 121
40 79 150
41 65
51
20
135
RT: 15.66 AI: 1197 KI: 1197 Butanoic acid, 2-methyl-4-methylpentyl ester
CAS#: 35852-40-5 MF: C11 H22 O2 FW: 186 MSD LIB#: 1910
CN: butanoic acid, 2-methyl, 4-methylpentyl ester
Synonyms: Isohexyl 2-methylbutyrate
Source: Lomatium dissectum root oil ex Vasu Dev
57 O
100 41
103
80 O
60 85
40 69
20
130 143 158
40 60 80 100 120 140 160 180 200
122
100 107
O
80 41
81
O-Me
60
67 95
40 182
55
20 135 167
150
OH
Appendix III: Mass Spectra 263
43
100
Z
80 AcO
60
40 54
20 67 81
95 110 128
45 OH
100
Z
80 O
67
60
O
40 55 82
20
105
100
E
80
133 148
60 O
77
40 91
41 51
20 65 119
45 (CH2)7-CH3
100
80
OH
60
40
20 55 69
83
140
40 60 80 100 120 140 160
121
100 OH
43
80 93
60
40 136
55 67 79
107
20
154
40 60 80 100 120 140 160
41
100 Z O
80
60 55
40
67
20 79
98 107 121 136
55
100
O-Et
Z
80
60 O
41
40
82 88 96 124
20 67
141 170
40 60 80 100 120 140 160 180
55
100
O
80 111
41
60
40
69 83
20 95 154
43 57
100
80
60 71
40
85
20
98 127 170
141
40 60 80 100 120 140 160 180
266 Adams: Essential Oil Components by GC/MS
67 81
100 41
80
55
109 121 O
60
152
40 95
20
134
67
100
O
80 95
41
60
40 55 82
152
109
20 137
41
100
80 57
60
40 70 82
95 112
20
128 138
40 60 80 100 120 140 160
Appendix III: Mass Spectra 267
41
100
80
57 O
60
103
O
40 85
20 69
130 143 158
40 60 80 100 120 140 160 180 200
109
100
80
60 124 O
O
40
20 151
41 53 82 166
43
100
O
80 71
60 O
40 81
20 53 168
66
100
80
60
40 43
20
77 91 106
107
100
80 91
135
60 41 79
150
40 O
55 67
20 122
115
43
100
80
60
40 135
20 91
51 65 117
150
40 60 80 100 120 140 160
Appendix III: Mass Spectra 269
55
100 41
80 61
75
60
82 148
67
40
47
20 105
133
40 60 80 100 120 140
84
100
80
60
41
40 OH
55 93 139
20 71 77 111 154
66
100
80
60
40 43
20
77 91 106
43
100 E
AcO
80
60
40 54
20 67 81
95 110 128
97 SH
100
140
80 125 O
60
40
69
45 53
20 63 77 111
81 O
100
80 H E E
60
41
40
20 53 67
95 138
43
100
80
60
40
56
70
20 83
41
100
80
67 79
60 55 93 107
40 121
136
20
154
40 60 80 100 120 140 160
41
100
139
80
83
55
60
69 93 111
40
121 154
20
43
100
80
60
40 55
67 82
20 95
101 123
138
40 60 80 100 120 140 160 180 200
68
100
80
60
41
40
53 109
20 79 93 121
139
40 60 80 100 120 140 160
41 O O
100 93
80
60 69
40 80
55
121
20
105 136
109
100
80
60 41 84
55
40
69 91
20 77 119 137 152
107
100
80
60 150
66 91
40 41 79
135
51 O
20 122
131
100
80
60 77 103 Z O
40 51
20 63
109
100
80 67 81 137 O
60 41 123 152
91
40 53
20
109
100
80
60 O
40 136
O
20
53 164
149
40 60 80 100 120 140 160 180
41
100 E E
55 83 HO
80
60 67
40
140
20 96
43
100 81
80
60
40 136
93 121
20 55 69 107
154 196
40 60 80 100 120 140 160 180 200
RT: 16.62 AI: 1219 KI: 1221 Sabinene hydrate acetate <cis-> (Ac vs. IPP)
CAS#: 77318-48-0 MF: C12 H20 O2 FW: 196 MSD LIB#: 517
CN: bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-, acetate,(1α,2α,5α)-
Synonyms: cis-4-thujanol acetate
Source: Cupressus sargentii leaf oil ex Larry Cool; 3.00% Majorana hortensis,
FFJ 2:55(1987); 0.09% Citrus bergamia
131 O
100
80 146
60
40
51 115
20 43 63 77 91 103
105
100 133
80 148
60
O-Me
40 77
115
51 63
20 91
41
100
O
80 55 96
60 74
Me-O E (CH2)5CH3
40 138
81
20 110
170
40 60 80 100 120 140 160 180
41
100
80 69
60
40 55
81
20 95
109 123 138 156
40 60 80 100 120 140 160
Appendix III: Mass Spectra 277
74 O
100
80 O
60
43 87
40
55
20
129 141
172
40 60 80 100 120 140 160 180
121 OH
100
80
60
40 77 91 136
20 65 103
51
41
100
84
80
60 152 O
69 97
40
55
20 109
137
117 OH
100 91
80
60
40 77
51 65
103 136
20
41
100
80
55 93
60 67 79
107
121
40
20 136
152
40 60 80 100 120 140 160
84
100
80 41 OH
55 109
60 134
69
40 91 119
20
152
40 60 80 100 120 140 160
Appendix III: Mass Spectra 279
135
100
80 Z
60 41 55 107
91
67 O
40 79 150
20 115 122
139
100 41
80 83
60 55 69 111
OH
40 93
121 154
20
41
100
69
80
60
40
93
20 53 84
111 121 139 154
40 60 80 100 120 140 160
280 Adams: Essential Oil Components by GC/MS
41
100
80 55 OH
109
60 67
40 79 91
119
20 134
152
40 60 80 100 120 140 160
43
100
O
80
H
60 O
55
40
67 93
20 81 111 125
167
40 60 80 100 120 140 160 180 200
RT: 17.07 AI: 1229 KI: 1232 Hexenyl 2-methyl butanoate <(3Z)->
CAS#: 53398-85-9 MF: C11 H20 O2 FW: 184 MSD LIB#: 1588
CN: butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
Synonyms: none
Source: Aldrich Chem.
41
100
67
80 57 O Z
60 82
O
40
20
43
100
80 81 O-Ac
60
40
93 136
20 107 121
55 69
49 154 164
40 60 80 100 120 140 160 180 200
43
100
80
60
40 73
55
115
20 129
83 140 171
40 60 80 100 120 140 160 180 200
149
100
80
60
40
164
91
20 119
77 105 134
RT: 17.22 AI: 1232 KI: 1235 Hexenyl 3-methyl butanoate <(3Z)->
CAS#: 35154-45-1 MF: C11 H20 O2 FW: 184 MSD LIB#: 1589
CN: butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-
Synonyms: Isovaleric acid, 3-hexenyl ester, (Z)-
Source: Aldrich Chem.
41 O
100
67
80
O
57 Z
60 82
40
20
RT: 17.23 AI: 1233 KI: 1236 Hexyl 2-methyl butanoate <n->
CAS#: 10032-15-2 MF: C11 H22 O2 FW: 186 MSD LIB#: 187
CN: butanoic acid, 2-methyl-, hexyl ester
Synonyms: none
Source: distillation of red delicious apples, RP Adams #5756; 0.30% Aloysia triphylla,
JEOR 6:523(1994); 0.12% Lavandula x hybrida; 0.06% Lavandula latifolia
103
100 57
43
80
60 85
40
74
20
129 158
40 60 80 100 120 140 160 180 200
43
100
80
60 140
40 71 155
112
20
59
60 80 100 120 140 160 180
Appendix III: Mass Spectra 283
81
100
80 67
152
60
41 109
40
53 95 137
20
131
40 60 80 100 120 140 160
43 121
100
80 93 136 O
60
O
40
55 79
20 69 107
41
100
81
80 O
67 99
60
55 123
40
109 138
20
184
40 60 80 100 120 140 160 180 200
284 Adams: Essential Oil Components by GC/MS
43 55
100
(CH2)5-CH3
80 E
60 69
O
40
97 139
20 81 111 125 154
40 60 80 100 120 140 160
41
100
80 Z
69
60
O
40
20 53 59 84 94 109
119 137 152
40 60 80 100 120 140 160
135
100
80 E
60 41 55 107
91
67
40 79 150 O
20 115 122
43
100
Ac-O
80 119
60
40
81 91 109 134
20 59 67
151
40 60 80 100 120 140 160 180 200
95
100
O
80 O
121
60 41
40 136
55 67
20 81 110
167
40 60 80 100 120 140 160 180 200
133
100
105 148
80
60
77
40
51 91 119
20 41
63
108
100
93
80 43 119
60 Ac-O
40
20 77
53 65
134 151 179
40 60 80 100 120 140 160 180 200
69 E O
100
41
80 O
60 87
40
20 55
127
40 60 80 100 120 140 160 180
77 O
100 136
80 O
60
51 65
40 92 118
104
20
82
100
80 O
60 54
40 93
41 108
20
67 135 150
43
100
80 57 85 103
60
40
69
20
129 144
40 60 80 100 120 140 160 180 200
57 85
O
100
Z
80 41 O
60
40 67
20
127 142 155 169 184
40 60 80 100 120 140 160 180 200
288 Adams: Essential Oil Components by GC/MS
149
100
80
60
40 164
91
20 77 119 134
41 51 105
RT: 17.69 AI: 1243 KI: 1246 Benzene acetic acid, ethyl ester
CAS#: 101-97-3 MF: C10 H12 O2 FW: 164 MSD LIB#: 270
CN: benzene acetic acid, ethyl ester
Synonyms: ethyl phenylacetate; ethyl α-toluate
Source: Aldrich Chem.
91 O O
100
80
60
40 164
20 65
136
40 60 80 100 120 140 160 180
57 85
O
100
E
80 41 O
60
40 67
20
142 155 169 184
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 289
82
100
80 O
60
40 41 54
152
20 69 95 109
137
40 60 80 100 120 140 160
150 O
100 107
80
41 91
60 67 79 135
40 53
20 121
95 O
100
80
110
60
O
40
20 41
67 81 151 166
138
40 60 80 100 120 140 160 180
290 Adams: Essential Oil Components by GC/MS
55
100 O
80 E
O
60 41
73
40 125
99
20 82
115
141 170
40 60 80 100 120 140 160 180
43 70
O
100
80 O
60 55
99
40
20 117
143
40 60 80 100 120 140 160 180 200
79
100
80
60
40
94
105 147
20 41 53 120 162
65 133
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 291
43
100
O
80
89
60 57 71
O
40
98
20
143
40 60 80 100 120 140 160 180 200
135 O
100
80
60
40 77
20 63 92 107
50 O-Me
134 OH
100
80
60 107
40 77
51 91 115
20
65
43 OH
100 71
80
99
60 O
40
20 55
79 111 126
140 153 168
40 60 80 100 120 140 160 180
43
100
O
80
99 O
60
40 O
74
56
20 117
130 157 172
40 60 80 100 120 140 160 180
164
100
O
80
93 121
60 136
149 O
40 53
77
41 68 108
20
105 O
100
80
77
60
40
51
20 148
41 120
130
40 60 80 100 120 140
41 69
100
E
80 OH
60
40
20 53 93 123
84 111 139 154
40 60 80 100 120 140 160
294 Adams: Essential Oil Components by GC/MS
82
100
80 110
60
41 95 O
40
54 137
20 67 119 152
148
100
80
60
40 77 117
105 133
51 91
20 63
RT: 17.96 AI: 1249 KI: 1252 Methyl pentyl angelate <3->
CAS#: 53082-58-9 MF: C11 H20 O2 FW: 184 MSD LIB#: 1988
CN: 2-butenoic acid, 2-methyl-, 3-methylpentyl ester (2Z)-
Synonyms: 3-methylamyl angelate
Source: Bedoukian Res. ex JJ Brophy; 20.33% Anthemis nobilis (Italy), Atlas of
Essential Oils, S.R. Srinivas Press, NY (1986); 18.32% Anthemis nobilis (Egypt);
16.22% Anthemis nobilis (England)
100
100
43
55 O
80
Z
60 83 O
40 69
20 184
127
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 295
129
100 N
80
60
40 102
50 75
20 63
41 67
100 123
81
80
OH
93
60
55
40
20 107 136
RT: 18.00 AI: 1250 KI: 1254 Piperitone epoxide <cis-> (epoxide vs. IPP)
CAS#: 4713-37-5 MF: C10 H16 O2 FW: 168 MSD LIB#: 1329
CN: 7-oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethyl)-, (1R,3R,6R)-
Synonyms: none
Source: ref. cpd. ex P. Weyerstahl
41
100 O
55 69
80
60
97 O
40
83 125 139
20 111
153 168
40 60 80 100 120 140 160 180
296 Adams: Essential Oil Components by GC/MS
85
100
80
60
40
O
20 41 56 100
142
O
40 60 80 100 120 140
RT: 18.10 AI: 1252 KI: 1256 Piperitone epoxide <trans-> (epoxide vs. IPP)
CAS#: 57130-28-6 MF: C10 H16 O2 FW: 168 MSD LIB#: 1330
CN: 7-oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethyl)-, (1R,3S,6R)-
Synonyms: none
Source: ref. cpd. ex P. Weyerstahl
41
100 O
55 69
80
60 O
97
40
126
83 139
20 111
153 168
40 60 80 100 120 140 160 180
RT: 18.12 AI: 1253 KI: 1256 Sabinene hydrate acetate <trans-> (Ac vs. IPP)
CAS#: 77318-47-9 MF: C12 H20 O2 FW: 196 MSD LIB#: 1058
CN: bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-,acetate,(1α,2β,5α)-
Synonyms: cis-sabinene hydrate acetate (cis for Me vs. IPP, old name); trans-4-thujanol acetate
Source: distillation of sweet marjoram leaves, RP Adams #5922
43 93
100
80
60 121
136
40
77
20 55 69 107
154
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 297
43 93
100
80
60
80
40 69
55 121
20 105 136
154
60 80 100 120 140 160 180 200
124 OH
100
OH
80
78
60
40
20 51 106
41 67 95
RT: 18.20 AI: 1254 KI: 1258 Phenyl ethyl acetate <2->
CAS#: 103-45-7 MF: C10 H12 O2 FW: 164 MSD LIB#: 1274
CN: acetic acid, 2-phenylether ester
Synonyms: benzylcarbinyl acetate
Source: K & K Chem. ex Art Tucker; 21.00% Coronilla emerus,
p. 57, in: Prog. in Ess. Oil Research, E.J-.Brunke, Ed, Gruyter Publ., Berlin(1986);
7.16% Mimusops elengi; 3.38% Narcissus tazetta
104
100
43
80
60
40
91
20 65 78
51
95
100 110
80
60
67 152
40 41
20 53 81
137
40 60 80 100 120 140 160
78 OH
100
80 HO
60 106 124
40
51
20
65
41
100
80 67 Z
55 81 HO
60
40
95
20
110 138
40 60 80 100 120 140 160
Appendix III: Mass Spectra 299
91
100 108
O
80
O
60
40 57
65 164
79
20 51
41 O
100
80 69 O-Me
60
55 95
40 110
82 152
20
129 137 183
41 67
100 123
81
80
OH
93
60
55
40
20 107 136
92
100
80
77 115
60 105 134
51 Z
40 OH
20 65
43
41
100
80 67 HO E
55 81
60
40
95
20
109 138
43
100 O
O
80
60
109
67
40
55 81
20 95
123 135 150
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 301
41
100
80 55
70
60
40 83
20 98
110
136
40 60 80 100 120 140 160
43
100
80
119
60
O-Ac
40
81 91 109
20 59 134
69
152
40 60 80 100 120 140 160 180 200
41 55
100
80
67
60
81
40
95
20
109
43
100 O
80
O
60
40 113
20 71
58
41
100
69
80 E O
60
40
84
20 53 94 109 123 137 152
40 60 80 100 120 140 160
Appendix III: Mass Spectra 303
134 E
100
80
91
OH
60
119
51 77
40 105
63
20
43
109
100
80 43
60 81 127
40
55
20
69 93
135 143 155161
40 60 80 100 120 140 160 180
120
100
O
80
60 O-Et
92
40 166
OH
20 65
131 138
40 60 80 100 120 140 160 180
304 Adams: Essential Oil Components by GC/MS
41
100 55
80 70
60
83
40
97
20 112
140
40 60 80 100 120 140 160
131
100
80
103 E
60
77
51
40
20 63
O
43
100
80 93 H O-Ac
60
40
79 121
20 55 107 136
67
91 O
100
80 O
60 43
40
65
20 178
51 163
40 60 80 100 120 140 160 180
60
100
80 73
41
60
40
20 115 129
84 98
43
100
80
60 O-Ac
40 56 69
84
20 97
140 157
40 60 80 100 120 140 160 180 200
306 Adams: Essential Oil Components by GC/MS
57 E
100 HO
80 41
60
40 67
82
20 95
109 138
40 60 80 100 120 140 160
67 79
100 O
80
41
53 93 107
60
40 121
135
20 150
123
100
80 81
Et-O
60 41
40 O
55 67 107
20 91
151 196
135 181
40 60 80 100 120 140 160 180 200
75
100
O-Me
80 Z
60 O-Me
40
41
20 81 93 122
47 55
155
40 60 80 100 120 140 160 180 200
308 Adams: Essential Oil Components by GC/MS
41
100
69
80
60 55 O
81 95
40 O H
123
20 109 138
184
40 60 80 100 120 140 160 180 200
43
100
95
80
60 81
40 138
55 67 123
20
109 170
147
40 60 80 100 120 140 160 180 200
43 109
100
80
60
69
40
55 81 138
20 95 123
151
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 309
41
100
80
55 79
60
109
40 67
95
20
125 135 152
40 60 80 100 120 140 160
43
100 O
O
80
60
67
40 85
55 123
95
20 79 109
137 151
40 60 80 100 120 140 160 180
43
100
80 93
60
40
79 121
20 55 107 136
67
43
100
80
60
40 136
81 93 107 121
20 55 67
145 153 163
40 60 80 100 120 140 160 180 200
79
100
80
E
91 E
60 E
40 41
53 105
20 67 162
119 147
133
40 60 80 100 120 140 160 180
RT: 19.05 AI: 1274 KI: 1276 Thio rose oxide <cis->
CAS#: 000-00-0 MF: C10 H18 S FW: 170 MSD LIB#: 1478
CN: not assigned
Synonyms: none
Source: ref. cpd. ex P. Weyerstahl
41
100 101
67 170
80 155
60
55 81 109
40 121
127
20
141
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 311
82 O
100
55 Z
80 67
O
Z
60
40
41
20
101
40 60 80 100 120 140 160 180 200
43
100
80
60
O-Ac
40 136
81 93 107 121
20 55 67
145 153 163
40 60 80 100 120 140 160 180 200
42 O
100 99
80 O
60 55 71
40
20 114 124 142
40 60 80 100 120 140
312 Adams: Essential Oil Components by GC/MS
123
100
80 81 Et-O
60
41 O
40
55 67 91 107
20 196
151 181
135
40 60 80 100 120 140 160 180 200
75
100 Me-O
80
O-Me
60
40
20 41 47 55
83 157
40 60 80 100 120 140 160 180 200
41 O
100 57
80 O
60
40 127
100
20 83 113
69 141 155
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 313
105
100
80
60
40 41 79 91
20 65 122 133
53
141 151 158 166
40 60 80 100 120 140 160 180
109 138
100 77
80
94 121
60
51
40 65
41
20
133 O
100
80
60
40 105
43 79 148
20 51
63 89
138
100
77 109
80
60
51 65 94
40
41
20 121
60
77
40 122
51 57
20 178
43
69
100 41
80 Z
60
O O
40
93
20 53 80 136
121
71 O
100
80 O
60
43
40
20 54
81 99 128
142 155
40 60 80 100 120 140 160 180 200
41
100 55
80
69
60 97 111
40
83 140 182
O
20 167
125 153
41 69
100
80
Z
60 O
40 83 114 O-Me
20 53 123
91 107 139 151 182
167
40 60 80 100 120 140 160 180 200
43
100
119 O-Ac
80
60
40 91 109
59
20 77 134
69
152
40 60 80 100 120 140 160 180 200
43
100
80 H O-Ac
93
60
40 121
20 55 79 136
67 107
60
79
40
111
20 139
153
40 60 80 100 120 140 160 180
85
100 O
Z
80
57 O
60
40 41 67
20
100 142 155 184
40 60 80 100 120 140 160 180 200
121
100
O-Ac
80
60
43
40
81 136
20 91
55 67 105
148
100
80
60
40 77 117
105 133
51 91
20 63
43
100
80
60
O-Ac
40
93 121 136
81 107
20 55 67
145 154 163 196
40 60 80 100 120 140 160 180 200
79
100
80 107
150
60
91 121
40
43
51 135
20 65
147
100
80
60 91
105 162
40
20 41 55 67 79 119 133
43
100 95
80
60
121 136
40
55 67 108
20 82 154
83
100
80 55 OH
60 101
40 41
20
154
69
100
OH
55
80
87 97
60
41
40 115
20 154
RT: 19.53 AI: 1285 KI: 1286 Cyclopentadiene carboxylic acid <3,4,5,5-tetramethyl-1,3->
CAS#: 864685-65-4 MF: C10 H14 O2 FW: 166 MSD LIB#: 2093
CN: cyclopentadiene carboxylic acid, <3,4,5,5-tetramethyl-1,3->
Synonyms: none
Source: Lavandula luisieri oil ex Nicolas Baldovini
O
107
100
80 OH
91 166
60 121
40 77
41 51 65
20 133 151
162
100
80
60
104 131
40 51 77
20 43 63 91
148154
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 321
79
100
80
60
40 94
20 41 53 105 147 162
65 119 133
40 60 80 100 120 140 160 180
59
100
80
43
60
40 71
20 81 96 139
40 60 80 100 120 140 160 180
55
100
73 OH
80
60
43
40
111 129
20
83 154
95
100
Ac-O
80 43
60 136
121
40
55 67 80 108 154
20
196
40 60 80 100 120 140 160 180 200
43 81
100 OH
69 100
80
57
60
40
125
20 107 135 153
164 182
40 60 80 100 120 140 160 180 200
RT: 19.64 AI: 1287 KI: 1288 Linalool oxide acetate <trans-> (pyranoid)
CAS#: 56752-50-2 MF: C12 H20 O3 FW: 212 MSD LIB#: 251
CN: 2H-pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-,acetate, trans-
Synonyms: none
Source: Artemisia vestita oil ex P. Weyerstahl
43
100
80
60
40
94
20 55 68
79 121 136
143 155 197
40 60 80 100 120 140 160 180 200 220
57
100
O
80
Z O
60
68 81
40 110
41
20 95
67
100
79
41
80 91 106
55 119
60
40 134
OH
20
152
79
100 Z Z Z
80 67
41
60
93
40 55 108
122
20
135 149 178
40 60 80 100 120 140 160 180 200
96 O
100 41
80
67
60
40 53 109
79 123
152
20 137
43
100
80 69
60 93
40
20 53 80 121
107 136
135
100
80
60
40 150
91
20 115
51 65 77 107
RT: 19.73 AI: 1289 KI: 1290 Sabinyl acetate <trans-> (IPP vs. Acetyl)
CAS#: 53833-85-5 MF: C12 H18 O2 FW: 194 MSD LIB#: 1368
CN: bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate,(1S-(1α,3β,5α))-
Synonyms: cis-sabinyl acetate (IPP vs. Me gp., traditional name)
Source: ref. cpd. ex E. von Rudloff
91
100
H
O-Ac
80
43
60
40
20 108 119
53 65 77 134
40 60 80 100 120 140 160 180 200
56 O
100
80 43 O
60
113 131
40
20 73 87
101
143
40 60 80 100 120 140 160 180 200
326 Adams: Essential Oil Components by GC/MS
135
100
80
79
105
60 91
150
40 119
41 51
20 65
135
100 O
80
O-Me
60 77
40
43 92
20 51 63 150
117
100
80
60
90
40
20 63
107
100 79
80
60
40
43 91
20 51 135
65 150
40 60 80 100 120 140 160
41
100
80 55
60 69
83
40 97
20 111
140 154 182
40 60 80 100 120 140 160 180 200
119
100
O-Ac
80 43
60
40 91
109
20 59 65 77 134
152
40 60 80 100 120 140 160 180 200
328 Adams: Essential Oil Components by GC/MS
68
100 O
80 41 99
O
60
40
20 53
85 184
128 142
40 60 80 100 120 140 160 180 200
57
100
43
80
82
60 67
40
20 123
95 138
40 60 80 100 120 140 160 180 200
81
100
O
Z
80 E
60 41 H
40
55 67
20 95
152
43
100 58
80
60
40
71
20
85 127 155 170
40 60 80 100 120 140 160 180
41
100 H
55
80
69
60 111
97
O
40
81 140 182
20 167
153
40 60 80 100 120 140 160 180 200
105 O
100
80 91 O-Me
77 137
60
41 59
40
53 121
20 65 149 165 180
40 60 80 100 120 140 160 180 200
330 Adams: Essential Oil Components by GC/MS
59 OH
100
80
69
60
40 41 83
143
20
97 154
95
100
80 O
60 41 55 69 83
40
123 166 O
20 138
77 110
43
100
95
80
60 81
O-Ac
40 138
55 123
20 67
109
67 79
100
80 41 93
60 55 121
40
109
20 134 152
104 NO2
100
80
60
77
40
51
20
65 91
151
40 60 80 100 120 140 160
RT: 19.95 AI: 1294 KI: 1295 Thio rose oxide <trans->
CAS#: 000-00-0 MF: C10 H18 S FW: 170 MSD LIB#: 1479
CN: not assigned
Synonyms: none
Source: ref. cpd. ex P. Weyerstahl
41
100
67 101 170
80 155
60 55 81 109
40 121
20 127
141
40 60 80 100 120 140 160 180
332 Adams: Essential Oil Components by GC/MS
94
100
67 79
80
41
60
55
107 121
40
20 136 154
41 Me-O
100 (CH2)5-CH3
79
80
O
67
60 55
40 100 137
93 109
20 121
153 167
40 60 80 100 120 140 160 180
43
100
H O-Ac
80
60 93
40 121
20 55 79 136
67 107
43
100
E Z
80
Ac-O
60
79
40 93
20 67 122
55 107
43 81
100 OH
69 100
80
57
60
40
125
20 107 135 153
164 182
40 60 80 100 120 140 160 180 200
91 O
100
80 O
60
43
40
108
20 65 71 178
51 77
135
100
80
163
60
91 178
40
77
20 41 107
51 65 115 150
135
100 O-Me
80
60 77 107 150
43
40 92 Ac
64
20 50
128
100
80
60
40
20 51 102
63 74
69
100
80 41
60
40
20 53 93 136
121
43
100
80
60
91
O-Ac
40
20 119
53 69 79 108 134 152
40 60 80 100 120 140 160 180 200
43 O-Ac
100
80
60 117
40 91
132
20 79
53 65 107
150
40 60 80 100 120 140 160 180 200
336 Adams: Essential Oil Components by GC/MS
135
100
80
60
40 150
91
20 77 107 115
41 51
43 93
100
80
60
121
40 136 O-Ac
53 77 111
20 67
165
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 337
131
100
80
103
60 162
77 O
Z
40 51
20 O-Me
63 91
144
40 60 80 100 120 140 160 180
121
100
O-Ac
80
60
43
40
81 136
20
55 67 91 105
41
100
80 55
60
67
40
82
20 98
111 121 135
40 60 80 100 120 140 160 180
338 Adams: Essential Oil Components by GC/MS
57
100 43
80
60 71
40 85
20
99 127 141 184
155
40 60 80 100 120 140 160 180 200
41 O
100
Z
80
55
60
40
67
20 82
98 121 150
111 135
40 60 80 100 120 140 160 180
43
100
80
60
O-Ac
40 55
81 95101
20 67
123 138
131
60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 339
45 (CH2)8-CH3
100
80 OH
60
40
20 55 69
83
140
40 60 80 100 120 140 160 180
164
100 93 121 136
80 147
109
60 O
53
40 77 O
20 41 67
152
100
80
60
106
40
53 81
20 63 122
92 136
92
100
80
78 134
60 105 115 E
40 51
20 63
OH
43
100 Z E
O-Ac
80
60
40
54 68
20 79 93 122
43
100
80 95 O-Ac
60
81
40
55 123 138
20 67
109
158
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 341
RT: 20.40 AI: 1304 KI: 1305 Butanoic acid, 2-methyl-4-methylhexyl ester
CAS#: 850309-46-5 MF: C12 H24 O2 FW: 200 MSD LIB#: 2163
CN: butanoic acid, 2-methyl, 4-methylhexyl ester
Synonyms: none
Source: Lomatium dissectum root oil ex Vasu Dev
57 O
100
80 O
41
60 103
70
40
85
20
143 172
40 60 80 100 120 140 160 180 200
108
100
80
43
60
40
O
20 77 178
51 71
O
40 60 80 100 120 140 160 180
41
100
80
57
60
40 68 82
20 95
109 126
142 152
40 60 80 100 120 140 160 180
342 Adams: Essential Oil Components by GC/MS
RT: 20.48 AI: 1306 KI: 1307 Dihydro carveol acetate <neo->
CAS#: 75684-64-9 MF: C12 H20 O2 FW: 196 MSD LIB#: 596
CN: cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-(1α,2α,5β))-
Synonyms: none
Source: ref. cpd., E von Rudloff
43
100
80
60 107
79 93
121 136
40
55 67
20
154
40 60 80 100 120 140 160 180 200
43
100
80
60 107
79 93
40 121 136
55 67
20
154
40 60 80 100 120 140 160 180 200
43 E
100
AcO
80
60
40
54
20 67 82
96
142
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 343
43
100 O-Ac
80
60 93
40 85 121
55
20 67 107
136
154
40 60 80 100 120 140 160 180 200
82
100
O
80
60
40 OH
41 54
20
73 140 150 168
128
40 60 80 100 120 140 160 180
56
100 O
80 126
41
60
111
40 69
20
84 97 196
40 60 80 100 120 140 160 180 200
150
100
80 79
60
O
40
41
20 53 67 91 117
104
132
40 60 80 100 120 140 160
Appendix III: Mass Spectra 345
91
100
80
60
40
20 41 65
51 77 108
43
100
80
O-Ac
60
91
40
20 119
53 69 79 108 134 152
40 60 80 100 120 140 160 180 200
43
100
80
60
40 56
70
20 83 97
126
40 60 80 100 120 140 160 180 200
346 Adams: Essential Oil Components by GC/MS
138
100 HO O
80
52 O
60
40
69 80
20
41 62 107
55
100 41
80
60
67
40
82
20 95 121
111 135 150
43
100
80
60
40 121 136
93 107
20 55 67 79
145 163
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 347
57
100
43
80 82
67
60
O-Ac
40
20 123
138
40 60 80 100 120 140 160 180 200
41 O
100
80 OH
60
69
40 55
95
20 82 110
152 170
148
100 O
119
80
60
91
40 105
51
41 77
20 63
131
40 60 80 100 120 140
348 Adams: Essential Oil Components by GC/MS
111
100
80
55
60 83
43
40
20 67
95 126 139
40 60 80 100 120 140 160
81
100 O
E E
80
H
60
40 41
20 55 67
95 152
82
100 67 E O E
55
80
60
40
41
20 101
43
100
80 93
60
136
40
59 79 O-Ac
20 53 67 101 121
107 181
40 60 80 100 120 140 160 180 200
43
100
80
60
40 55
O-Ac
81 95101
20 67
123 138
131
40 60 80 100 120 140 160 180 200 220 240
41
100
80
69
60
40 83 123
55 98
20
107 134141 151 166 183 198
40 60 80 100 120 140 160 180 200
350 Adams: Essential Oil Components by GC/MS
41 Z OH
100
107
80 79
67
60 91
55
40
123 135
20 148 166
131 H
100 159
117
80 41 105
91 202
60
145 H
40 69 77
53 187
20
173
40 60 80 100 120 140 160 180 200
117 O
100
80 145
60 91
40 78
51 63
20 103 131
43
100 OH
80
60
99 OH
40 71
55
81 111
20 93 126
137
40 60 80 100 120 140 160 180
163
100
O-Me
80 91
119
60 O
77 105
40
41 51 131 147
59 178
20
43
100
80
60
55 70
40
20 83 97 111 140
40 60 80 100 120 140 160 180 200
352 Adams: Essential Oil Components by GC/MS
RT: 21.04 AI: 1319 KI: 1320 Dimethyl phenethyl acetate <α,α->
CAS#: 151-05-3 MF: C12 H16 O2 FW: 192 MSD LIB#: 611
CN: benzene ethanol, α,α, dimethyl-, acetate
Synonyms: dimethylbenzylcarbinol acetate
Source: Aldrich Chem.
O
43
100
80 O
60
40 91
59 117 132
20 65
51 101
43
100 O-Ac
80
60 93
40 85 121
55
20 67 107
136
154
40 60 80 100 120 140 160 180 200
41 E E
100
HO
55 83
80
60 67
40
97 154
20 110
136
40 60 80 100 120 140 160
Appendix III: Mass Spectra 353
82 O
100 67
55
80 Z O
E
60
40
41
20 101
153 O-Me
100 H3C-(H2C)5
O-Me
80
60
40 41
79
55 69 93
20
127 139 169 183
40 60 80 100 120 140 160 180 200
354 Adams: Essential Oil Components by GC/MS
41 Z
O
100 55 (CH2)7
80
60
67
40
82
20 95 121
111 135 150
84 E
100
80
OH
60 41 55 67 97
40 121
20 150
107 139 168
40 60 80 100 120 140 160 180
69
100 O
41
80
O-Me
60
40
114
83
20 53 123 139 151 182
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 355
74
100
80
60
87
43
40
55
20 143
101 129 155 186
40 60 80 100 120 140 160 180 200
105 O
100 O
80 H
60
40 91
45 79
20 51 65
135
40 60 80 100 120 140 160 180
91
100
80 43
60
40 119
20 79 108
53 65 134
152
40 60 80 100 120 140 160 180 200
356 Adams: Essential Oil Components by GC/MS
79 OH
100
80 43
91
60
40
20 134
51 65 105 121 152
RT: 21.36 AI: 1326 KI: 1329 Dihydro carveol acetate <iso->
CAS#: 160868-58-6 MF: C12 H20 O2 FW: 196 MSD LIB#: 598
CN: cychexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1α,2β,5β)-
Synonyms: none
Source: ref. cpd. ex E. von Rudloff
43
100
80 O-Ac
60
93 107
40 121
79 136
20 55 67
154 196
40 60 80 100 120 140 160 180 200
93
100 67
80 41
60
79
55 106 148
40 133
121
20
166
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 357
175
100
80
60
40 41
91 105 121 133
55 204
20 77 147
67 161 189
H
40 60 80 100 120 140 160 180 200
67
40
95 123
20
137 148 166
84 E
100
80
41 67 97
60 55 OH
121
40
20 150
107 168
139
40 60 80 100 120 140 160 180
81 OH
100 59 HO
80
60 43 96
40
67
20
111 121 139 154
43
100 O-Ac
80
60
40 85 93
55 121
20 67 107
136
154
40 60 80 100 120 140 160 180 200
149
100 O
80
O
O
60
40 121
H
63
20 91
53
40 60 80 100 120 140 160
121
100
O O
80
60 Me-O
40
77 166
20 51 91
63
135
40 60 80 100 120 140 160 180
360 Adams: Essential Oil Components by GC/MS
101
100
O
E
80 55
83
60 O
40
43
20 69
127 169 184
40 60 80 100 120 140 160 180 200
124
100
80 41
95
60 68
40 55
77 151
20 105 138 166
43
100
93
80 121
84
60
O-Ac
40
136
20 55 69
111 154
196
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 361
84
100
80
41
60
55 67
40
20 95 123
137 148 166
119
100
80
161 189 H
60 41 91 105 147
133 204
40
55 77
20 65 175
119
100
80
92 151
60
40 65
20
52
135 O O-Me
100
80 Me-O
60 77
92
40 63
105 166
20 51
120 151
40 60 80 100 120 140 160 180
93
100 O
80
O
60 57
41
40 69 80 121
20 107 136
154
40 60 80 100 120 140 160 180 200 220
124 OH
100
95
80 77
60
107
40
20 41 51 65
OH
121
100
93
80
60 136
40 41 161
77 105
20 53 67
148 175 189 204
40 60 80 100 120 140 160 180 200
91 105 O
100
80 57
60
162
40 133
77
51 65
20
162
100
80
60
104 131
40
77
20 51
63 91
147
40 60 80 100 120 140 160 180
364 Adams: Essential Oil Components by GC/MS
122
100 O
80
60 94 164
O
40
66
20
41 51 77 149
135
40 60 80 100 120 140 160 180
41
100
69
80
60
40 83
55 98 123
20 91
107 129135 167
141 151
40 60 80 100 120 140 160 180 200
133
100
80
60
40
51 77 105
20 66 91 115
67 HO
100 55 OH
41 82
80
60
40
20 95
43
100
80 109 119 O-Ac
84
152
60 91
40
55 77 134
20 67
194
40 60 80 100 120 140 160 180 200
124 S
100
80
60
40
166
20 45 51 91 151
77 111 134
40 60 80 100 120 140 160 180
84
100
80
O
60
40 41
55
20 97
69 168
126 139
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 367
107
100 150
80
60 41 91
O
79 135
40 53
65 121
20
115
43
100 O-Ac
80
60
93
40 85 121
55 107
20 67 136
127
40 60 80 100 120 140 160 180 200
84
100
N
80
60
40 42
133 N
20 51 161
65 92 119
43
100
121
80 93
84
60
40 77 136
55 69
20 154
105111
196
40 60 80 100 120 140 160 180 200
91
100 O
108
80
O
60
40 43
71 178
20 65 79
51
160
40 60 80 100 120 140 160 180
91
100
105
80 133 147
189
60 55 77 119
41
40 161
67 204
20
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 369
41 91
100
105
80 119 147 189 204
133 175
60 55 77
40 161
67
20 H
154
100
80
139
60
93 111
40 65
51
20 79
43
100
121
80 93
60 136
40
20 59 67 79
53 107
135
100
80
60
77
40 150
43 92 107
20 64
50
43
100 O-Ac
80 95
60
40
55 81 138
20 69 123
113
60 O O
40
20 145
103 O
105 161
100
119
80
60
91 H
40 41 81 204 H
20 55
69 133
145 189
40 60 80 100 120 140 160 180 200
135
100
80
60
40 150
20 43
91 192
77 115
43
100
80
69 81
60 95
40 55 123
109 138
20
119
100 H
80
60 105
41 91
40 133
55 77
20 69 161 204 H
147 189
175
40 60 80 100 120 140 160 180 200
RT: 22.47 AI: 1351 KI: 1354 Phenyl ethyl propanoate <2->
CAS#: 122-70-3 MF: C11 H14 O2 FW: 178 MSD LIB#: 1280
CN: propanoic acid, 2-phenylethyl ester
Synonyms: benzylcarbinyl propionate
Source: Aldrich Chem. ex H. Hills; 0.12% Michelia alba, p.14; in: Aromatic
Plants & Essential Constituents, Peace Book Co., Hong Kong(1993);
0.01% Pelargonium graveolens; 0.01% Spartium junceum
104
100 O
80
O
60
57
40
20 91
51 65 77
69
100 41
80 Z
O
60
O-Et
40
82 100 128
20 53
91 107113 151
135 181 196
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 373
147
100
80 119 O
60
91 105
40 77
51
20 41 65
133
40 60 80 100 120 140
80 O
60 43 O
40
20 57 115
133 143 161 172 188
40 60 80 100 120 140 160 180 200 220
69
100
80
60
40 41
81
20 123
55 91 192
135 177
40 60 80 100 120 140 160 180 200
374 Adams: Essential Oil Components by GC/MS
121 O
100
80
65
60
40 93
20 50
OH
RT: 22.69 AI: 1356 KI: 1359 Dihydro carveol acetate <neoiso->
CAS#: 256332-36-2 MF: C12 H20 O2 FW: 196 MSD LIB#: 599
CN: cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1R,2S,5R)-
Synonyms: none
Source: ref. cpd. ex E. von Rudloff
43
100
80
60
93
40 107
79 121
55 68 136
20
154
40 60 80 100 120 140 160 180 200
164
100
80
60
40 149
77 103 131
55 91 137
20 65 122
43
41
100 81 H
69
80 95
123
60 166
O
53 109
40 H
O
20 138
151
41 O E
100 (CH2)7-CH3
80
57 70
60
40 83
20 97
111 121 150
135
40 60 80 100 120 140 160 180
376 Adams: Essential Oil Components by GC/MS
145 159
100
119
80 174
41 91 202
60 105
131
77 187
40
55
20 65 H
85
100 O
O
80
60
40
20 41 56
128 138
40 60 80 100 120 140 160
55 O
100
41
80 69 OH
60
40 84 110
20 96
123 152
134
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 377
69
100
41
80
Z
60
93
40 O-Ac
80 121
20 53 136
107 154
40 60 80 100 120 140 160 180 200
59
100
80
60
40 43
20 70
83 98 123
141 159
40 60 80 100 120 140 160 180
69
100
80
60 41 121
40
77 91 105
20
51 175 190
133 142
40 60 80 100 120 140 160 180 200
378 Adams: Essential Oil Components by GC/MS
55 OH
100 41
80 67
82
60
40 95
20 109 124
60
MeO
40
135
20
77 108 182
RT: 23.00 AI: 1363 KI: 1365 Methyl benzyl butyrate <α->
CAS#: 3460-44-4 MF: C12 H16 O2 FW: 192 MSD LIB#: 1663
CN: butanoic acid, 1-phenylethyl ester
Synonyms: none
Source: Aldrich Chem.
O
105
100
O
80
60
40 77 122
43
20 51 71 192
60 OH
100
73
80 O (CH2)8-CH3
60 41
40 129
20 87 115
101 143 172
69 81
100 41
55
80 99
60 127
O
40
20 O
109
43
100
80 84
60 109 119
91
152
40 134
55 77
20 67
57 E
100 HO (CH2)7-CH3
80
60 41
40 82
68
20 95
109
152
40 60 80 100 120 140 160 180
58
100
80
60
40 43
20 71
126 142
40 60 80 100 120 140 160 180 200
117
100
80
60 43
91
40
20 65 77 103
135 149 169 179
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 381
67
100
O
80 41
138
60
40 53
79 O
109 123
20 95 166
151
80
60
40
166
20 77 94 122
51 65
81 O
100
O
80 O
60
40 98
20 43 53 196
71 167
136
40 60 80 100 120 140 160 180 200
382 Adams: Essential Oil Components by GC/MS
41
100 55
80
69
60
83
40 97
20 111 126
154
40 60 80 100 120 140 160 180
124
100 OH
80
60
40 OH
67 95
20 41 55 77
107
105
100
H
94
80 41
H
60 120 161
79 204
40 55
67 133
20 147 189
135
100
80
60 150
40 43
20 91
51 77 107 192
65
40 60 80 100 120 140 160 180 200
135
100
80
60
40 166
77
20 63 92 107
43 50 148
40 60 80 100 120 140 160 180
81
100
43 69
80 55
127
60 99
O
40
20 O
109 152 170
40 60 80 100 120 140 160 180
384 Adams: Essential Oil Components by GC/MS
41 HS
100 69
80
109
60
55 O
40 75 81
93 153 186
20 123 135
41 94
100 H
80 105
119 H
60
55 79
133
40 69 161
189 204
20 147
175
40 60 80 100 120 140 160 180 200
59 109 OH
100 HO
80 43
60 79
40
95 137 152
20 69
119
170
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 385
140
100 O
80 43 112
Ac
60
40 69 O
55 154 196
20 84
98 126
181
40 60 80 100 120 140 160 180 200
147
100
80
Me-O N
60
40 77
51 116 132
20 63 90 104
93
100
43 O
80
60 O
69 80
40 121
20 55
107 136
154 224
40 60 80 100 120 140 160 180 200 220
386 Adams: Essential Oil Components by GC/MS
105 H
100 119
80 161
93
60 41
40
77 204
55 133
20 65 147 189
175
40 60 80 100 120 140 160 180 200
162
100
80
60
104 131
40
77
20 51 63 91
147
40 60 80 100 120 140 160 180
105
100
80 161
41 91
60 119
40
55 77 133
204
20 67 147 189
176
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 387
154
100
80
60
40
76
20 51 63 115 128 139
40 60 80 100 120 140 160
75
100
80
60
40
20 41
55 83 171
40 60 80 100 120 140 160 180 200
388 Adams: Essential Oil Components by GC/MS
131
100 O
Z
80
103 O
60 77
40 51
176
20 147
63 91 158
40 60 80 100 120 140 160 180
131
100
80
103
60 162
77 E
40
51
20
63 147 Me-O O
122 175
100
204
80 41 147
91
60 105 133
40 55 77
189
20 65 161
H
41
100 O (CH2)7-CH3
80
O
60 57
40 71
100 141
20 81 113
155 169
40 60 80 100 120 140 160 180 200
91
100 120 148
O O
80 78
60
40 51
63
20 42 106
131
40 60 80 100 120 140
110
100
80
151
60
40 41 67
95 123
20 53 79 137 166
43
100
105 H
80 91
79
60
120
40
H OH
20 51 65 145
131 163 178
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 391
69
100
43 E
80
O-Ac
60
40
93
20 53 80 121 136
154
40 60 80 100 120 140 160 180 200
189 H
100 161
80
119
60 105 204
41 93
40 133
55 79 147
20 69 175
41 E O
100 Z
80
69 O
60 85 167
57 98
40
20
109 121 137143151 183 211
40 60 80 100 120 140 160 180 200 220
392 Adams: Essential Oil Components by GC/MS
161
100
80
41 121
60
91
40 77 105
20 53 65 133
147 175 189 204
40 60 80 100 120 140 160 180 200
121
100
80
60
40
78
20 43 51 91 164
63 O
80 55 Et-O (CH2)4-CH3
69
60 88
110
40 81 96
152
20 123 135
141 169 198
40 60 80 100 120 140 160 180 200
119 H
100 H
80
60
93
40 105
41
20 55 69 77 147 161 204
136 189
175
40 60 80 100 120 140 160 180 200
149
100
80 O
60 OH
77 91 105
40 119
41 51 59 131
20 164
65
105
100 91 O
80
60
43
40 133
77 176
20 51 65 71
60 55
137
40
109
97 125
20
153
167
40 60 80 100 120 140 160 180
41 161
100 91
80 105 133
H
60 55 79
122
40 67 189 204
147
20 175
43 67
100 O
95 194
80 110 Ac
179
60
40 82
53 151 O
20 123 161
133
130
100 H
80 N
60
40
20 77
51 103
43
100
80 117
60 56 99
84
40
69
20
129 144
40 60 80 100 120 140 160 180 200
396 Adams: Essential Oil Components by GC/MS
189
100
80
60
40 41 119 161
91 105 147
77 133 204
20 55
65 175
40 60 80 100 120 140 160 180 200
40
20 97
136
40 60 80 100 120 140 160 180 200
69
100
80
60
41 121
40
20 91 105
51 77 190
133 147 157 175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 397
57
100 95
80 O
136
60 41
121
O
40 108
67 81
20 154
210
40 60 80 100 120 140 160 180 200 220
43
100
80
60 93
40 67 82
121
20 55
107 136
99 O O
100
80 42
60 71
55
40
20 114
127 138
40 60 80 100 120 140 160
398 Adams: Essential Oil Components by GC/MS
177
100 69
41
80 81
60 123
107
40 192
53 93 Z
135
20 149 159
O
41
100 81 H
69
80 95
123
O
60 166
53 109 H
40 O
20 138
151
91
100 O
80
O
60
40 57
65 136
20
43 192
40 60 80 100 120 140 160 180 200
71 E O
100
80 O
60
43
40
54
20 81
110 128 142 155 169 198
40 60 80 100 120 140 160 180 200
161
100
80
60 105
91
41 119 H
40 H
77 204
20 53 69 133
147
175 183189
40 60 80 100 120 140 160 180 200
400 Adams: Essential Oil Components by GC/MS
81
100 H
123
80
60
161
40 H H
41 91 105
20 53 67 133 147 204
189
40 60 80 100 120 140 160 180 200
162
100
80
60 147
119
40
41 77 91 105
55 134
20 189 204
69
175
40 60 80 100 120 140 160 180 200
119
100
80
60
H
40 41 105
93 161
20 55 77 133 204
69
148 176 189
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 401
RT: 24.09 AI: 1388 KI: 1389 Methyl decyl ketone (=2-dodecanone)
CAS#: 6175-49-1 MF: C12 H24 O FW: 184 MSD LIB#: 2192
CN: 2-dodecanone
Synonyms: dodecanone, 2-
Source: Bedoukian Res.
O
43
100 58
80 (CH2)9-CH3
60
40
71
20
85 126 184
141 169
40 60 80 100 120 140 160 180 200
43
100
80 115
60
Z
40 105 133 O-Ac
92
20 51 77 176
63
147 169
40 60 80 100 120 140 160 180
41
100
55
80
60 69 83
40 97
20 111
125 168 196
140 154
40 60 80 100 120 140 160 180 200
402 Adams: Essential Oil Components by GC/MS
97
100
80
60 41
O
67
40 137 166
109 123
55 79
20
151
40 60 80 100 120 140 160 180
161
100
80
41
60 133
105 119 175
91 148
40
55 77 189 204
20 69
57
100
72
43
80
60
40 85
155
20 95
128 141 184
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 403
81 93
100
41 67
80
107
60 53
121 147
40 161
133 189
20
175 204
40 60 80 100 120 140 160 180 200
RT: 24.18 AI: 1390 KI: 1391 Thiazole ethanol acetate <4-methyl-5->
CAS#: 656-53-1 MF: C8 H11 N O2 S FW: 185 MSD LIB#: 1476
CN: 5-thiazoleethanol, 4-methyl-, acetate (ester)
Synonyms: none
Source: Pyrazine Specialties ex Art Tucker
43
100 N
125
80
S
60
O-Ac
40
20 98 112
58 85
142
60 80 100 120 140 160 180 200 220 240
79
100 164 E
O
80
41 91 110 122 149
60 55 135
40 67
20
93
100 41 119
80
60
69
77
40 55 105
20 161
133 147 189 204
40 60 80 100 120 140 160 180 200
108
100 H
H
80
41 93
60 161
H
77 119 133
40 55
67 189
20 125
147 204
175
41
100 81 H
69
80 95
123
O
60 166
53 109 H
40 O
20 138
151
79
100
80 164
41 110
55 91 122 149
60 135
67
40
20
69
100 O
80
E
60
40 41
81
20 123
55 91 192
135 149 177
40 60 80 100 120 140 160 180 200
68 Me-O O
100
80
60
53 121
79 93 105
40 41
59 137
20 149 180
165
60 43
40
20 71 91
51 65 77
151 OH
100
O-Me
80
60
40
81
53 109 123
20
65 137 H O
165
100 MeO
80 180
60 152
40
OMe
20 77 91 105
41 51 65 121 135
60
40
20 82 100 128
53 151
135141 196
40 60 80 100 120 140 160 180 200
88
100
80
60 41
40 55 101
73
20 157
115 129 143 171 200
40 60 80 100 120 140 160 180 200
119
100
80
60
41 69 93
40 55 105111
133 204
77
20 189
147 161
175
40 60 80 100 120 140 160 180 200
408 Adams: Essential Oil Components by GC/MS
41
100 68
80 81
55
60
95
40
109
20
123 136 151 161 179
40 60 80 100 120 140 160 180 200
204
100
80 189
60
40 105 119 161
41 91
133 147 175
20 55 77
67
43
100 OAc
80
55
60
68
40 82
96
20 61 109
138
112
100
80
60
OH
40
41 55
20 69 83 97 125
139 149 167 182
40 60 80 100 120 140 160 180 200
41 97
60
40
20 55 115
57
100 43
80
71
60
40 85
161
100
80
105
91 204
60 41 133 H
40 119
55 67 79 189
20 147 175
40 60 80 100 120 140 160 180 200
41
100 H
80 91
60 79
55 105
119 133 161
40 67
168175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 411
119
100
80
60
40 41 93 105 204
55 77 161
20 134 148
65
178 189
40 60 80 100 120 140 160 180 200
119
100 41
H
80
93
60 79 105
55
40 69
133 147 161
20 204
189
176
40 60 80 100 120 140 160 180 200
178
100
80
60
40 163
91 107 147
20 41 51 65 77 115 135
91
100 180
Me-O
80 121 O
60 65
O
77
40
45 51 107
20
165
40 60 80 100 120 140 160 180 200
119
100
80
60
41 93
40 105 204
55 79 134 161
20 69
148 189
175
40 60 80 100 120 140 160 180 200
93 119
100
80
60 41
40 69
55 77 105
20 161
133 147 189 204
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 413
105 165
100 O
80
O-Me
60 77 132
40 NH-Me
51
20 64 91 116 150
123
100
80
60 H
40 204
41
55 95 105 189
20
67
81 135 147 161
175
40 60 80 100 120 140 160 180 200
164
100
80
77
60 55
91 103 149
40 131
121
20 41 65
93
100
108
80
60
40 41
55 81
123
20 67 204 H
136 175 189
161
40 60 80 100 120 140 160 180 200
161
100
41 91
80
105
79 189
60 119 133
55 204
40 67 147
175
20
136
100
80 121
93
60
40 107
204
41
20 55 79
67 161 189
145
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 415
108
100
41
80
91
60 79
55 119 147 189
133
40 67
161
20 204
175
43
100
80
60
40 55
70
20 83
97 111 140
40 60 80 100 120 140 160 180 200
41 H
100
80 Z
60 79 93
69 H
40 105 133
55
20 119 161
147 175 189 204
40 60 80 100 120 140 160 180 200
416 Adams: Essential Oil Components by GC/MS
41
100
80 57
60
82
40 67
96
20 110 140
156 166
40 60 80 100 120 140 160 180 200
43 E
100 Ac-O (CH2)6-CH3
80
60
40
54
20 67 81 96 110 127 138 156
40 60 80 100 120 140 160 180 200
204
100
161
80 105 189
91 119
60 41
133
40 147
55 77 H
20 67
175
41
100
69
80
60 55 O-CH2CHO
40 81
95
20 109 123 139
154
40 60 80 100 120 140 160 180 200
119
100
H
80
60
93
40 41 105
161 204
20 55 69 77
136 147 189
175
40 60 80 100 120 140 160 180 200
149
100
80
164
60
40 77 121 136
91 O OH
51 103
20 41 65
93
100 119
80 41
60
69
40 55 79 107
20
133 161 189 204
148
40 60 80 100 120 140 160 180 200
43
100
80 121 O
95 136
60
40 81
55 176
20 67 107
161 194
40 60 80 100 120 140 160 180 200
161
100 H
41 69
80
60 93
55
40 79 120 133
105
20 204
147 189
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 419
121
100
80
60 180
40
43 77 91
138
20 51 109
63
81 O
100
57
80
60
40 41
95 137
20 69
151 165 179 194
41
100 O
80 69 E
177
60
81
40 107 123
55 91 192
20 135
149 159
138
100
80
60
123
40
86
20 68 79 95
43 53 108
41
100
H
80 69
60 91 161
55 77 119
40 105
133
20 204
147 175 189
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 421
119
100 O
80
165 O-Et
60
40 92 NH2
20 65
137
40 60 80 100 120 140 160 180
109
100 O O
80 H
60
40 43
55
20 93
67 81 135 220
40 60 80 100 120 140 160 180 200 220
43
100 O
81 H
80
60 55
40 67 93 108
H
20 121 139
149 166 179
207 222
40 60 80 100 120 140 160 180 200 220
422 Adams: Essential Oil Components by GC/MS
43
100
80 OH
60 95 121
136
40
81
20 55 67 105 176
161
40 60 80 100 120 140 160 180 200
81
100
O E E (CH2)5-CH3
80
60
40
41
20 55 67
95 166
137
40 60 80 100 120 140 160 180
94
100
41
80
60
40 69 79 107
55 121
20 161 189 204
133 176
147
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 423
138
100
80
56
60
40 41
20 82 181
67 100 152
40 60 80 100 120 140 160 180 200
43 55
100
O
80
E
60 101
73 O
153
40 84 110
20 127
134141 169 198
40 60 80 100 120 140 160 180 200
41 E
100
80 93
69 79 133
60 H
105
40 55 120 161
147 189
20
175 204
161
100 H
H
80
41
60 69
91 204
40 105 120 133
55 77
20 147
175 189
40 60 80 100 120 140 160 180 200
120 161
100
91
41 H
80
105
60 79
40 55 67
133
20
147 170 183189 204
40 60 80 100 120 140 160 180 200
41 68
100 E
O
80
55 81
60 95
40
109
20
123 138
151 161 179
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 425
57
100
80 O
60 109 119
91 O
40 41 152
77
20 67 134
165
43
100
80
107
60
117
40
91
77 133 150 177 192
20 51 65
41
100
H
80 H
91 119
60 69 79 105 161
55
40
133 148 204
20 189
176
40 60 80 100 120 140 160 180 200
426 Adams: Essential Oil Components by GC/MS
41
100 69
93
80 O
60
O
40
80 121
20 53 107 136 179 194
149155 164
40 60 80 100 120 140 160 180 200 220
93
100 O
41
80
O
60
71 80
40
55 121
20
107 136
154
40 60 80 100 120 140 160 180 200 220
94
100
43
80
60
79
40
67
20 55 107 121 136
59
100 O
80
60
95 110
OH
40 43
20 53 82 150
67 135
40 60 80 100 120 140 160 180
43 91 105
100
80 71
60
133 176
40 77
51 65
20
148
40 60 80 100 120 140 160 180
60 55 O
95 H
40 67 108
20 123
139 151 166 179 207 222
189
40 60 80 100 120 140 160 180 200 220
428 Adams: Essential Oil Components by GC/MS
120
100
80
60
40 138
65 92 194
20 41
57
91
100
80 O
60 H
40 71
65 117
41 143
20 51 57 77 105 131 176
158
41
100
O
80 55
60 O
95
40
67 113 121
20 81 139
155 167
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 429
105
100
80
60 43
40
91 133
20 79 148
55 119
179
100
80
60
194
40
164
20 77 91 149
41 51 119 136
40 60 80 100 120 140 160 180 200
74
100
80
60 87
43
40
55
20
101 129 143 157 169 200
40 60 80 100 120 140 160 180 200
430 Adams: Essential Oil Components by GC/MS
43
100
H
80
91
60 79 105
40 120
71 145 H
OH
20 53 65 131 160
178
40 60 80 100 120 140 160 180
121
100
80 93
43
60
136
40
77 109 192
20 53 65 177
149 159
119
100 H
80 105
41
60 93
55 81 133
40 69 204
20 147 161 189
169175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 431
81
100 O
94
80 O
O
60 43
40 140
53 71
20 65 210
123
161
100 H
80
60 41 91 105
40 81 119
20 55 67 133
147 204
189
40 60 80 100 120 140 160 180 200
193 O O
100
80
60 43 96
O
40
81 165
20 53 67 137
109 175
151 208
40 60 80 100 120 140 160 180 200
432 Adams: Essential Oil Components by GC/MS
161
100
80
60
40 105
41 91 119
133 147 189
20 55 79 204
67
175
40 60 80 100 120 140 160 180 200
43 O
100
O
80
60
71 95
40 136
109 121
20 55 81
154
224
40 60 80 100 120 140 160 180 200 220
118
100 O O
146
80
60
90
40 63
20 51
93
100 119
80 41
60
69
40 55 79 107
20
133 161 189
148 204
40 60 80 100 120 140 160 180 200
119
100
80 134
HO
60
40
91
20 41 77 105
53 65
105
100
80 77 O O
60
70
40 51
41 123
20
135 149
40 60 80 100 120 140 160 180 200
434 Adams: Essential Oil Components by GC/MS
43
100
O
80 Z
60
69
40
20 93 107 136 151
53 81 125 161 176 194
40 60 80 100 120 140 160 180 200
121
100
80 93
60 41 107
40 67 79 161
53 133 189
20 147 204
175
40 60 80 100 120 140 160 180 200
43
100
121
80
60
161
40 93 O
79 136
55 105 176
20 67 194
151
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 435
105
100
80 O
60
40
148
20 41 51 77
91 121
136
40 60 80 100 120 140
43
100
80
81 O-Ac
60 59
40 121
69 OH
20 96
139 196
40 60 80 100 120 140 160 180 200 220
81
100
80
E
E
60
40 93
41 163
20 55 67 105 121 133 204
147 175 189
40 60 80 100 120 140 160 180 200
436 Adams: Essential Oil Components by GC/MS
121
100
80
60 136
40 93
189
41
20 55 67 79 105 204
148 161 175
45
100
O
80 105
60 87 O
40
20 77
51 65
130 149
40 60 80 100 120 140 160 180 200
105
100
41 91
80 147
79 133 204
60 161 189
55 67 119
40
20 175
RT: 26.24 AI: 1438 KI: 1440 Methyl butyl benzoate <2->
CAS#: 52513-03-8 MF: C12 H16 O2 FW: 192 MSD LIB#: 278
CN: 1-butanol, 2-methyl-, benzoate
Synonyms: none
Source: ref. cpd. ex H. DePooter
105
100 O
80 70 O
60 77
40
51 123
20 41
135
40 60 80 100 120 140 160 180 200
RT: 26.24 AI: 1438 KI: 1440 Phenyl propyl isobutanoate <2->
CAS#: 65813-53-8 MF: C13 H18 O2 FW: 206 MSD LIB#: 1283
CN: propanoic acid, 2-methyl-, 2-phenylpropyl ester
Synonyms: 2-phenylpropyl isobutyrate
Source: Aldrich Chem. ex Art Tucker
118
100 43
O
80
60 71 O
40 105
91
20 77
51
81
100
57
80
60
40 41
95
69 137
20
165 194
40 60 80 100 120 140 160 180 200
438 Adams: Essential Oil Components by GC/MS
43
100 H
80 121
60 OH
40 93
79 161
55 105 136
20 67 176
151 194
40 60 80 100 120 140 160 180 200
41
100
91 161
80 105 H
79 119
60 67 133 204
55
40 147 189
20 175 H
RT: 26.27 AI: 1439 KI: 1441 Phenyl ethyl butanoate <2->
CAS#: 103-52-6 MF: C12 H16 O2 FW: 192 MSD LIB#: 1277
CN: butanoic acid, 2-phenylethyl ester
Synonyms: benzylcarbinyl butyrate
Source: Aldrich Chem.
104 O
100
80 O
60
43
40
71
20 77 91
51 65
96
100
108 H
80
81
60
41
40 55
69
20 119 189
133 147 161 175 204
40 60 80 100 120 140 160 180 200
154
100
80
60
139
40
93 196
20 41 51 65 111
77 125
40 60 80 100 120 140 160 180 200
43
100
HO
80
83
60
O
40 55 69
Ac
20 98 125
109 166
40 60 80 100 120 140 160 180 200
440 Adams: Essential Oil Components by GC/MS
41 69
100
80 Z
60 93
40
55 79 120 133 161
20 105 147 179 189 204
40 60 80 100 120 140 160 180 200
82
100
H
80
41 163
60 121
95
55 206
40 69 107
135 150
20 191
177
40 60 80 100 120 140 160 180 200
105
100
H
80
161
60 119
41 91
40
55 77 133 204 H
20 147
69 189
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 441
70
100
O
80
43
60 55 O
40 127
20 145
171 199
40 60 80 100 120 140 160 180 200 220
93
100
80
107
60 41
40
69 79
55
20 119 204
134 161 189
148
40 60 80 100 120 140 160 180 200
43
100
80 115
E
60
40 134
92 105 176
77
20 51 O-Ac
63
147
40 60 80 100 120 140 160 180
442 Adams: Essential Oil Components by GC/MS
67
100 H
41 95 O
80 81
60 O
55
40 109 H
20
150 159 168
40 60 80 100 120 140 160 180
147
100 Ac
80 43
60 Ac
91
40 119
50 162
20 76
63 104
41
100
123
80 181
60 55 81 95
69 107
40
166 HO
O
20 135
149 209
191
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 443
41
100 81
O
57 69 95
80
O
60 123
40
109 138
20
115
100 158
80
60 143
40
20 63 89 127
133
100
91 H
80
60 41 108 164
55 77
40 119 189
67 149
20
175 204
43 95
100
80
60 67
109 135
40 79 120 145
53 178
85 163
20
94
100
80
60
40
20 41 77 121 136 204
53 105 161 189
40 60 80 100 120 140 160 180 200
94
100
H
80
43
60
79 O
40 135
69 H
55 107 205
20 147
119 162 220
177 187
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 445
122
100
80
60 H
40 204
41 91 105
79 189
20 55 67 133 147 161 175
41
100 69
H
80
55 E Z (CH2)4-CH3
60 O
40
20 81 111
95
136 151
40 60 80 100 120 140 160 180 200
94
100
80
60
41
40 122
79
20 55 67
107 133 161
147 189 204
40 60 80 100 120 140 160 180 200
446 Adams: Essential Oil Components by GC/MS
65 154
100
80 93
60
55 125 137
40
77 111
20 41
108
100 H
80 93
41
60 79
119
40 55 69
133 189 204
20 148 161
175
40 60 80 100 120 140 160 180 200
115
100
O
80
60
158
40
20 63 89 128 143
82
100
H
80
41 163
60 121
95
55 206
40 69 107
135 150
20 191
177
40 60 80 100 120 140 160 180 200
95 O
100
O
80
60 113
40 41
20 55 67 196
84
161
100 H
105
80 119
60
41 81
40 91
204
20 55 69 133
145 189
40 60 80 100 120 140 160 180 200
448 Adams: Essential Oil Components by GC/MS
164
100
80
60 77
55
91 103 149
40 131
65 121
20
41
93
100 41
119 H
80 79 105 189
60 161 H
55 67 134 204
40
147
20 175
169
40 60 80 100 120 140 160 180 200
91
100
41
80 105
79
60
40 53 67 133
119 162 204
147 175
20 189
119
100
H
80
60 93 204
41 79 105
40 55 189
67 147 H
20 133 162
175
43 99
100 81
80 55
O O
60
40 93 111
69
20 155
126 139 170 182 223 238
40 60 80 100 120 140 160 180 200 220 240
178 O-Me
100
O-Me
80
60
107 163
40 91
Z
20 41 65 77 115 147
51 135
105 161
100
80
119
60
40 41 81 91
204
20 55
69 133 H
145 180 190
40 60 80 100 120 140 160 180 200
147
100
80
60
103 E
40 77
51
91 131
20
63 120 H O
41
100 105 H
161
80 189
91
60 119 175
55 79 133
40 69
147 204
20
119
100
80 134
HO
60
40
91
20 41 77 105
53 65
147 177 192
40 60 80 100 120 140 160 180 200
93
100
80
60
40 41 80
121
67 147
20 53 107
136 161 204
189
40 60 80 100 120 140 160 180 200
69
100
41
80
57 93 Z O
60
40 80 O
121
20 136
107 154
40 60 80 100 120 140 160 180 200 220
452 Adams: Essential Oil Components by GC/MS
137
100
80
60 166
40
20 81 109
53
149
40 60 80 100 120 140 160 180
43
100
Z
80
121
60
40 67 150
OAc
79
55 93
20 107
135
40 60 80 100 120 140 160 180 200 220
80
60
40 69
20 107 151
53 93 125 136 161 176 194
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 453
134
100 H
80
H
60 91
41 119
40 79
67 107
55 161 189
20 147
175 204
57
100 O
80
O
60
109 119
40 41 91
152
20 77 84 134
67
165
40 60 80 100 120 140 160 180 200
69 E
100 41
80
93
60
40
79 133
55 120 161
20 107 147 189 204
170
40 60 80 100 120 140 160 180 200
454 Adams: Essential Oil Components by GC/MS
93 107
100 H
H
80 135
60 41
40 79 119 204
55 161 189
20 69 147
175
40 60 80 100 120 140 160 180 200
126
100 O
O
80
60 O
57
40 O
43
20 71 182
97
192
100
O-Me
80
O
60 91
77 119
53 65
40 133 147
103 161 O
20 41
177
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 455
93
100
80
107
60 41
40
69 79
55
20 119 133
148 161 189 204
40 60 80 100 120 140 160 180 200
RT: 27.05 AI: 1457 KI: 1459 Decenal <(4Z)->, diethyl acetal
CAS#: 73545-19-4 MF: C14 H28 O2 FW: 228 MSD LIB#: 579
CN: 4-decene, 1,1-diethoxy-, (Z)-
Synonyms: none
Source: Bedoukian Res. ex Art Tucker
47 103
100 O-Et
80 41 75
Z
O-Et
60
55 69
40 111
81
20 95 129
137 183
153 171
40 60 80 100 120 140 160 180 200 220 240
108
100 H
80
60
93
40 121 H
20 41 55 67 79 189
133 147 162 175 204
94
100
80
60
40 41 122
55 79
20 67 107 133 147 161 189 204
40 60 80 100 120 140 160 180 200
41
100 69
80
60
93
40 55
77
120 133 161
20 105
147 175 189 204
40 60 80 100 120 140 160 180 200
41
100
80 91 H
105 161
60 79
119 133
55 67
40 147 204
189
20 H
175
60 43
40 152
81
20 55 67 91
123 137 208
175
40 60 80 100 120 140 160 180 200
133
100
80
60 105
91
117
40 190
147 175
41
20 77
51 65
157
40 60 80 100 120 140 160 180 200
81 O O
100 S
80
60 53
40
45
194
20 113
126
41
100
93 105
80
79
60
55
40 67 119 148
133
20 161
189 204
175
40 60 80 100 120 140 160 180 200
175
100
80
60 Me-O O
40
20 132 160 190
43 51 63 77
145
40 60 80 100 120 140 160 180 200
161
100
80
60
105
40 41 91 204
81 119
20 69 133
55 147 189
177
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 459
94
100 H
80
60 43 O
79 H
40
20 55 69 107 119 135 147 205
162 177 191 220
40 60 80 100 120 140 160 180 200 220
119
100
80
93 105
60
79
40 41 55 147
67 133
20 161 189 204
177
40 60 80 100 120 140 160 180 200
41
100
91
80 105 161
79 133
60 119
67 147 204
55
40 189
20
175
41
100 E
80 O (CH2)8-CH3
55 70
60
40 83
20 97
111 121 135 151
40 60 80 100 120 140 160 180 200
85
100 O
O
80
60
40
20 41 55 128
41 105
100 91
80
60 55 81 204
123
40 133 148
69 161 189
20
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 461
161
100
80
60
105 119
40
41 81 91
20 69 133 204 H
55
131
100
80
60
E
103 176
40
77 Et
20 51 147 O O
158
40 60 80 100 120 140 160 180
117
100 H
69 91 131
80
60 41 105111
55 202
145
40 77 159 187
20
173
80 O
60
40
98
43 53 210
20
113 129137 150 167 181
40 60 80 100 120 140 160 180 200 220
94
100
H
80
43
60 79 135
40 69 O
55 107 205
H
20
147
128 159 187
40 60 80 100 120 140 160 180 200 220
93
100 O
80
O
60
57 69 121
40 80
43
20 107 136
154
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 463
O
83
100
80 O
55
60 OH
41
40 69
95 139
20
123
81
100 67 O
41
80 97 E Z (CH2)4-CH3
60 125 Et-O
55
40
151
108 196
20
139 167
40 60 80 100 120 140 160 180 200
133
100
O
80
43
O
60 149
105
40 91 208 OMe
20 77 121
51 65 165
119
100
80
93
60
41 79 105
40
55 67 161 204
133 147
20 189
175
41 55
100
80 69
60 83
40 97
20 111
125 140
168
40 60 80 100 120 140 160 180 200
RT: 27.54 AI: 1469 KI: 1471 Salicylic acid, butyl ester
CAS#: 2052-14-4 MF: C11 H14 O3 FW: 194 MSD LIB#: 1372
CN: benzoic acid, 2-hydroxy-, butyl ester
Synonyms: butyl salicylate
Source: Pfaltz & Bauer ex Art Tucker
120 O
100
80 O
60
OH
40
92 138
20 41 65 194
43
100
80 109
60 79 94 O
40 69
20 55
137
149 162 177 192 202
40 60 80 100 120 140 160 180 200 220
57
100
41 E
80 HO (CH2)8-CH3
60
40 67 82
20 95
109 138 166
40 60 80 100 120 140 160 180 200
68
100 O O
80 Z
60
43
40 99
109
20 55 93
81
139 153 167 182
40 60 80 100 120 140 160 180
466 Adams: Essential Oil Components by GC/MS
93
100
68
80
H
60
41 121
40 79 107
53
20 161
133 147 175 189 204
40 60 80 100 120 140 160 180 200
121
100
95
80 136
60
40 41 189 204
79
55 67 107
20 148
162 176
161
100
80 105
81
60
119
40 41 91
55 204
20 69 133
145 189
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 467
43
100
80
O
60
93 109
40 79
20 69 137
55
149 159 177 187 202 220
40 60 80 100 120 140 160 180 200 220
43
100
121
80 93
60 136
71 81
40 O
20 53 107
129 209 O
105
100
80
60 41
91
40
79
55 121 133
20 67 147 161
189 204
175
40 60 80 100 120 140 160 180 200
43 O
100
O
80 71 95
60 136
40 121
108
55 81
20
154
119
100
80
93
60
40 41 105
79
55 67 147 161 204
20 133
175 189
RT: 27.73 AI: 1474 KI: 1475 Decenal <(4E)->, diethyl acetal
CAS#: 1005378-12-0 MF: C14 H28 O2 FW: 228 MSD LIB#: 580
CN: 4-decene, 1,1-diethoxy-, (4E)-
Synonyms: none
Source: Bedoukian Res. ex Art Tucker
47
100 103 O-Et
80 75 E
O-Et
60 41
111
55 69
40 83
20 95 129
136 183
155 171
40 60 80 100 120 140 160 180 200 220
75
100 OMe
80
60 MeO (CH2)9-CH3
40
20 41
55 185
40 60 80 100 120 140 160 180 200 220
119
100
80
93
60 41 161
105
40 79
55
67 147
133 204
20 189
175
40 60 80 100 120 140 160 180 200
470 Adams: Essential Oil Components by GC/MS
161
100
80
60
105 204
40 81 91 119
41 189
20 134
55 65 145
176
40 60 80 100 120 140 160 180 200
166 O-Me
100
Me-O
80
60
40
77 95
51 O
20 65 151
41 137
40 60 80 100 120 140 160 180
121
100
80
164
60
40
77 91
20 41 65 103
51 136 149
161
100 105
80 81 91
41 119 189 204
60
55 133 147
40
67
20 175 H
189
100
80
93
60 41 105
79 133
40 55 119 204
67
161
20 148 175
155 169
40 60 80 100 120 140 160 180 200
41
100
80
60
55
40
69 100 155
20 85 113
127135 169 183
40 60 80 100 120 140 160 180 200 220
105
100 O O
123
80
60 77
40
51 70
20 42
135 163 192
40 60 80 100 120 140 160 180 200
97
100 41 68
O
80
O
60
40 (CH2)8-CH3
20 55
108 139 150 161
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 473
161
100
H
80
60 105 119
40 41 91 204
79 133
20 55 67 189 H
147
175
40 60 80 100 120 140 160 180 200
135 O
100
80 E
107 150
60 43
40 91
20 79 123 206
55 65
163 173 191
40 60 80 100 120 140 160 180 200
474 Adams: Essential Oil Components by GC/MS
94
100 H
80
60 O
40 43 79 H
20 55 69 107 135
147 205
162 187 220
40 60 80 100 120 140 160 180 200 220
119
100 132
80
105
60 41
40 202
91 145
55
20 69 77 83
159 187
40 60 80 100 120 140 160 180 200
57
100 OH
80 E
60 95
40
41 123 152
20 67 81 105 137 208
161 175 190
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 475
161
100
80 H
204
81
60 41 105
91 119
40 189
55 133
20 67 147 H
175
40 60 80 100 120 140 160 180 200
161
100 41 91 105
80
60 79 119 E
40 55 E
67 133
20 204
147
135
100 O
80 E
107 150
60 43
40
91
20 79 123
55 65 191 206
163 173
40 60 80 100 120 140 160 180 200
476 Adams: Essential Oil Components by GC/MS
43
100 59
80
60
70
40
83
98 123
20
141
161 189
40 60 80 100 120 140 160 180 200
41
100 91
H
105
80
79 111
60 55 69
119 189
161
40 133
148 204
20
175
119
100
80
93
41
60 105 204
40
55 77
69 134 161
20 147 189
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 477
43
100 H
H
80 137
60
40 222 O
109
55 67 81 95 121 207
20 164
151 179 189
93
100 105 133 H
80 41 204
119
H
60 79
55 161 189
40
67 147
20
175
83
100
80
55
60
41
40 69
95 139
20
123
151 O
100
80
60
166
40 123 Me-O
43
20 51 65 108
77 OH
136
40 60 80 100 120 140 160 180
41
100 O
80
81 O
60 69
95
40 55 123
20 109 138
99
100 O O
80
60
40
43
20
55 71 129 169
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 479
182
100 O-Me
80
60
40 151 167 Me-O O-Me
121 139
69 77 109
20 53 91
RT: 28.12 AI: 1483 KI: 1484 Phenyl propyl butanoate <2->
CAS#: 80866-83-7 MF: C13 H18 O2 FW: 206 MSD LIB#: 1282
CN: butanoic acid, 2-phenylpropyl ester
Synonyms: 2-phenylpropyl butyrate
Source: Aldrich Chem. ex Art Tucker
118
100
O
80 71
43 O
60
40 105
91
20 77
51
121
100
149
80 164
60
40 77
91
20 41 51 65 103
135
40 60 80 100 120 140 160 180
480 Adams: Essential Oil Components by GC/MS
105
100
H
80
60 41 94
40 119 161
77 H
20 53 133 204
65
148 175 189
40 60 80 100 120 140 160 180 200
68
100 O O E
80
60
43
40 99
20 109
55 81 93
139 153 167 182
40 60 80 100 120 140 160 180 200
105
100 O
80 O
60 68
40 41 77
20 51
85 131 145 190
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 481
119
100
80
60
H
40 105
41 91 204
20 55 69 77 161
133 147 189
40 60 80 100 120 140 160 180 200
91
100 O
80 107
43
60
40 58 79
65
20 51
164
192
40 60 80 100 120 140 160 180 200
104 O
100
80
60
57
40
20 41 77 85 91
51 65
105
100 189
80
60 41 91
40 80 121
55 133
161
20 67 147 204
175
40 60 80 100 120 140 160 180 200
177
100
80
60
43
40
20 91 135
77 107 121 149 159 192
55 O O
100 41 Z
80
60 68
81
40 108
20 93 99 150
132 168
165
100 ?
137
80
60 O-Me
180
40
41 77 91
20 53 65 107 115 124 150
168
100
80
60
40
152
20 63 115
51 74 89 128 139
108
100 41
80 91
60 55 79
H
40 119
67 133 147 204
161 189
20
175
105 204
100 93
41 79 H
80 161 189
67 121 133 147
60
55
40 175
20
43 160
100
145
80
60 91
40 77 105 119
131 202
20 53 65
187
40 60 80 100 120 140 160 180 200
41
100 69
80 O
Z
60 93
O
40
80
20 53 121
107 136
154
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 485
RT: 28.43 AI: 1490 KI: 1491 Phenyl ethyl 3-methyl butanoate
CAS#: 140-26-1 MF: C13 H18 O2 FW: 206 MSD LIB#: 1273
CN: butanoic acid, 3-methyl-, 2-phenylethyl ester
Synonyms: phenethyl isovalerate
Source: Aldrich Chem.
104 O
100
80 O
60
40 57
20 41
51 65 77 85 91
55
100 41 O O E
80
68
60 81
40
108
20 93 150
132 168
173
100
80
158
60
143
40 43
128 H O
20 115
188 201
40 60 80 100 120 140 160 180 200 220
80
60
107 163
40 91 E
20 41 51 65 77 115 147
135
83
100
80
55 O
60
41
69
40 O
95
20 139
OH
161 189
100
80 41 204
91 105
60 133
119
40 55 81
67 147
20 175
105 161
100 41
80 91
119 189 204
60 133
55 79
40 67 147
20 175
153
100
80
60
40
51
76 115
20 63 128 139
161
100 H
80
60 91 105
40 41 119
81
20 55 65 133 204
147
189
40 60 80 100 120 140 160 180 200
134
100 91
41
80 159
105
60 77 119 145 202
55 67 189
40
20 173
119 H
100 93 H
80
60 41
40 69 77
20 55 105
204
133 147 161 189
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 489
43
100 161 207
80
93 105 119
60
79
55
40
69 133
20 147 179 189
218
40 60 80 100 120 140 160 180 200 220
99
100
O O
80
60 42 71
55
40
20 114
84 127 134 141 152
40 60 80 100 120 140 160 180
RT: 28.55 AI: 1493 KI: 1494 Raspberry ketone, methyl ether
CAS#: 104-20-1 MF: C11 H14 O2 FW: 178 MSD LIB#: 1648
CN: 2-butanone, 4-(4-methoxyphenyl)-
Synonyms: anisylacetone, 2-butanone <4-(4-methoxyphenyl)-
Source: Aldrich Chem. O
121
100
80
60
40 178
43
20 77 91
51 65 108 135
145 163 O
43 126
100
O
80
O
60
40 71
20 55 97
196
153
40 60 80 100 120 140 160 180 200
192
100 O
147
80
O
60 O-Me
53 91 119
40 65 77 165
20 41 103 133
177
119
100
80 105
60 161
H
40 41
55 91
20 69 77 204
130 145 177 189
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 491
161
100 41 105
91 H
80 79 119
60
40 55 133
67 204 H
20 148
175 189
43
100 58
O
80
60 (CH2)10-CH3
40
71
20 85
127 140 161 183 198
40 60 80 100 120 140 160 180 200
131
100 O O
80
160
60
40 51
77
20 63 103
161
100
80
41 79 91 105 204
60 119
133 189
40 147
55 67
175
20
107
100
41 93
H
H
80 H
119 161
60 79
189
55 135 204
40 67 147 175
20
149
100
80 O
60
93
40 107
43
81
20 55 121
69
133 H
191 O-Me
100
80
60
131
40
91 117
20 147 206
59 65 77 163
91 O
100
80 O
60 83
55 172
40 145
65
20 77 107 129 157 190
107
100
80
41 121
60
177
40 55 67 79 95
20 135 210
149 163 195
40 60 80 100 120 140 160 180 200 220
494 Adams: Essential Oil Components by GC/MS
189
100
80
204
60 93 133
107
40 41 81 161
147 175 H
55 67 121
20
121
100
80
60 136
40
91 204
20 41 55
77 105 161
67 148 175 189
40 60 80 100 120 140 160 180 200
189
100 133
80
60 41 91 105 121
204
40 55 79 148
20 67 161
175
43 OAc
100
80
60 55
68 82
40
96
20 61 110
137 152
40 60 80 100 120 140 160 180 200 220
69
100
80 41
60
40
81
20 55 165
95 107 150
135 175 190 208
40 60 80 100 120 140 160 180 200
108
100
80
O
60
40 148
20 41 79 91 216 H
53 65 119 133 159 201
173 187
40 60 80 100 120 140 160 180 200 220
496 Adams: Essential Oil Components by GC/MS
207
100
80 41
55 137 H
60 O
69 109
40 81 149
95 189
125 164
20
179 222
93
100
80
60 79 121
41 107 136 204
40 189
55 67
20 148 175
162
57
100 43
80
71
60
40 85
121
100
80 93
60 41 107
79
40 161
53 67 204
20 136 189
147
175
40 60 80 100 120 140 160 180 200
93
100
80 41 68
121
60 79 107 189
53 204 H
134
40
147 161
20
175
105
100
80 H
60 161
40 41 91 204
81 119
20 55 133 147 189
67 H
173
40 60 80 100 120 140 160 180 200
498 Adams: Essential Oil Components by GC/MS
119
100
80
60 204
91 105
40 41 134
55 77
20 147 161
69 189
175
40 60 80 100 120 140 160 180 200
161
100
80 81
60 105
41 119
91 204
40
55 133 189
20 65 147 H
175
40 60 80 100 120 140 160 180 200
95
100 41 H
80 79
105
147 189
60 55
67 204
119 133
40 161
175
20
119
100 O
80 177
O
60 92
65
40 NH2
41
20 130
52 158
146
40 60 80 100 120 140 160 180
57
100
O
80 (CH2)9-CH3
60 O
75
40 43
83
20 97 112
130 140 185
40 60 80 100 120 140 160 180 200 220
204
100 161
80 41 91
105 121
60 189
79 133
40 55 67 147 H
20 175
55
100 41
80
71
60 98
40 83 111
125 182
20 139
149 167 O
105
100
80 41 91 119 161
60 204
55 189
77 133
40 147
65
20
175
40 60 80 100 120 140 160 180 200
207
100
80
H
60 41 137
109 189
40 55 O
69 81 95 149
20 123 164
179 222
20 93 105 122
121
100 136
80
60
93
40 41
105 204
20 77
55 65
148 161 175 189
40 60 80 100 120 140 160 180 200
132
100
80
60
40 145
119 202
91 105
20 41
55 65 77 159 187
40 60 80 100 120 140 160 180 200
502 Adams: Essential Oil Components by GC/MS
43
100
E
80 AcO (CH2)7-CH3
60
40
54
20 67 82
96 124
110 141 152 170
40 60 80 100 120 140 160 180 200 220
119
100
80
60 41 91 105
40 55 134
77 204
20 65 147 161
189
41 93
100
E
80
E
60 55 69
79 107
119
40
20
133 147 161168175 189 204
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 503
41
100
69
80 93
60
40 79
107 119 161 204
20 53
134 147 189
175
40 60 80 100 120 140 160 180 200
91
100 107
41 79
80 119
60
53 67 147 161
40 133 204
189
20 175
93
100
80
60 41
40 67 79
55 105 121
20 133 204
147 161 176 189
40 60 80 100 120 140 160 180 200
504 Adams: Essential Oil Components by GC/MS
135
100 HO
80
60
40 43
98
20 83 107
55 67 121
147 175 189 207
H
164
40 60 80 100 120 140 160 180 200 220
41
100
69
80
60 55 O
40
82 109
20 95 126
H
68
100 41 93
80 53
107
60 81
119
40 147
133
189
20 161
176 204
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 505
41
100
57 69 93
80
O
60
40 O
80 121
20 136
107
156 169
40 60 80 100 120 140 160 180 200 220 240
107
100 93
80 H
41 79
60 189
165
100
180
80
60 O
152
40 91
53 65 77 137 HO OH
20 41
110 119
41
100
80 57
60
82
40 69
96
20 110 124 154
138 180
40 60 80 100 120 140 160 180 200
156
100
N
80
60
40 171
20 128
77
142
40 60 80 100 120 140 160 180
121
100 O
80
O
60
40 Me-O
20 77 91 194
51 57 63 109 138
135
100
80
HO
60 41
55
40 81 95 124 148
67 109 166 204
20 176 189
222 H
41
100
69
93 O
80
60 57
O
40 85
121
20 107 136
156 169
40 60 80 100 120 140 160 180 200 220 240
161
100
105 119
80 41 H
91 134
60 204
81
40 55
20 65 189
147
173
40 60 80 100 120 140 160 180 200
508 Adams: Essential Oil Components by GC/MS
121
100
80
60 136
40
91 204
20 41 55
79 105
161
67 148 175 189
40 60 80 100 120 140 160 180 200
204
100
80 94
60 Z
41 79
40
55 105 135
69 119 189
20 161
147 175
40 60 80 100 120 140 160 180 200
161
100
80
60
105
40 41 91 119
79 133 204
20 55 67 148 176 189
131 H
100 117 159
41 HO
80 202
91 105
60
77 145 H
40 69
53 187
20
176 220
40 60 80 100 120 140 160 180 200 220
149
100
HO
80
60
40 43 107
93 119
55 79 187
20 67 135 162
173 205 220
93 107
100
80 41 119
60 79 204
40 55 134
69
20 161
147 169175 189196
40 60 80 100 120 140 160 180 200
510 Adams: Essential Oil Components by GC/MS
43
100
80 110
H
60 95
55 82
40 67
121 149 O H
20 135
164 177 187 205
220
40 60 80 100 120 140 160 180 200 220
43 207
100 161
80 OH
93 105 119
60
79
55 H
40
67 133 H
20 147 179 189
218
40 60 80 100 120 140 160 180 200 220
119
100
80
60 41 93
40 105
55 69 77
20 161 204
134 147 189
40 60 80 100 120 140 160 180 200
205
100
80
60
40
220
20 41 57 86 145
133 159 168 177 188
40 60 80 100 120 140 160 180 200 220
43
100
O
80
60 139
40
55 69 95 109
20 81 204
119
133 151 161 189 222
40 60 80 100 120 140 160 180 200 220
512 Adams: Essential Oil Components by GC/MS
43
100 205
80
H
60 91 105
81 147
40 55 O
67 165 177 220
20 113119 135
H
192
157
100
80 185
200
60
40 143
115 128
20 41 170
77 105
40 60 80 100 120 140 160 180 200
57
100 95
80 41 81 O
138
60
O
40 123
69
20 109
155
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 513
119
100
80
60 41 161
91 105 202
40 145
79 131 187
53 65
20
173
40 60 80 100 120 140 160 180 200
192 O
100 O
Me-O
80
60
40 91
65 119 131 165
20 53 77 147
41 103 177
81
100
O E E (CH2)6-CH3
80
60 41
40
20 55 67
95
137 151 180
40 60 80 100 120 140 160 180 200
514 Adams: Essential Oil Components by GC/MS
43 HO
100 98 135
80
60
83
40 55
77 107 122
69 175
20 149 163
204
H
81
100 H
80
60
40 43 H H
OH
20 123
55 67 91 105 133 149 161 179 189 207
40 60 80 100 120 140 160 180 200 220
41
100
80 H
55 207
60 137 O
69 109
40 81
95 149 189
20 123
164
179 222
69 O
100 41
80
60
40
93
20 53 79
105 149 161 177 192
131
40 60 80 100 120 140 160 180 200
109
100
80
60
40 67
41 93
20 55 81
133 148 189 204
40 60 80 100 120 140 160 180 200
86
100
HO
80
H
60
43
40 135
95
20 55 67 107 121
149 165 175 204 222
40 60 80 100 120 140 160 180 200 220
516 Adams: Essential Oil Components by GC/MS
69
100
41
80
60
40 81
20 55 165
95 107 123 135 147 175 190 208
40 60 80 100 120 140 160 180 200
121
100
80 93
60
135
57 150
40 77 206
41
20 65 107 191
163 177
40 60 80 100 120 140 160 180 200
161
100
80 122
60 107
40 41 93
H
55 67 81 204
20 133 189
147
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 517
159
100
80
60
40
20 129 202
115 144
164
100
80
60
40
43 149
20 91 131
55 65 77 103 121 206
57
100
O
80 41 85
60 95
O
136
40 108 121
67
20 154
223 238
40 60 80 100 120 140 160 180 200 220 240
518 Adams: Essential Oil Components by GC/MS
69
100 41 H
80
60 93
77 161
40 55 120 133
105 204
20
147 175 189
40 60 80 100 120 140 160 180 200
161
100
80
119 204
60 105 134
40 41 91
H
81
20 55 189
69 145
176
40 60 80 100 120 140 160 180 200
43
100
H
80 O
O
60 125 140
40 55 O
20 67 81 93 111
165 235
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 519
57
100
80 O
60
41 O
40 85 95 136
109 121
20 67
154 238
40 60 80 100 120 140 160 180 200 220 240
41 84
100 E E
HO (CH2)6-CH3
80 55
60 67
40
97
20 182
110
127 138 164
40 60 80 100 120 140 160 180 200
164 O-Ac
100
Me-O
80
60
40 43 149
74
100
80
60 87
43
40
55
20 143
129 157 171 183 214
40 60 80 100 120 140 160 180 200 220
91
100 O
105
80
60 57
41 85
40 133
65 77 148
20 190
159 172178
40 60 80 100 120 140 160 180 200
152
100
43
80
60
40
51
20 65 79 109 123
95 137 194
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 521
105
100 202
80
60 159
131 H
118
40
41 91
20 57
69 77 145 187
204
100
94
80
60 E
41 79
40 105
55 69 135
20 119 161 189
147 175
40 60 80 100 120 140 160 180 200
189
100
80
60
131 147
40 41 91 117
57 204
20 65 77 105
51 161 171
40 60 80 100 120 140 160 180 200
522 Adams: Essential Oil Components by GC/MS
131
100 E
O
80
91
60 O-Me
40 77 119
51 63 103 162
20 147
93 119
100
41
80
60 55 105
79 133
40
69 148 204
20 161 189
40 60 80 100 120 140 160 180 200
43
100 H
O
80 O
60
55 93 140
40 111 O
69
20 81
153161 207 220
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 523
84 E
100
80
60 41 O
40 55
67
20 97 110 123
137 152 194
165 176
40 60 80 100 120 140 160 180 200
161
100 H
80
204
60
81 105 119
40 41 91 189
55 133
20 147
65
175
40 60 80 100 120 140 160 180 200
43
100 H
H
80
60 108
126
40 55 81 O
67 93 H
20 149 161
135 179 189 204 222
40 60 80 100 120 140 160 180 200 220
524 Adams: Essential Oil Components by GC/MS
93
100 107
80 41
60
119
40 79 135
55 204
20 69
148 161 189
175
40 60 80 100 120 140 160 180 200
43 H
100 H
164
80
60
OH
40 81
55 67 91 99 137
109 121
20
41
100
81
80 95
O
69
60 123
O
40 55
109 138
20
136
100
80
121
60
H
40 41
204
91 161
20 53 67 79 107
148 175 189
40 60 80 100 120 140 160 180 200
185
100
157 200
80 171
60
143
40 128
115
20 41 77 91
51 105
43
100 H
O
80
O
60
55
40 93 111 140
O
67
20 81 124 151 166
175 207 219 234
40 60 80 100 120 140 160 180 200 220 240 260
526 Adams: Essential Oil Components by GC/MS
69
100 41
80
60 93
40 55 107
81
20 121 136 161
148 177 189 204
40 60 80 100 120 140 160 180 200 220
187
100
80 202
145 160
60
91 131
40 41 105
117
77
20 53 65 173
159
100
80
60
40
20 128 202
105 115 144
119
100
80 41 93
60 55 105
40 161 204
69 79 133
20 148 189
175
40 60 80 100 120 140 160 180 200
RT: 30.14 AI: 1532 KI: 1533 Hydroxy citronellal <diethyl acetal->
CAS#: 7779-94-4 MF: C14 H30 O3 FW: 246 MSD LIB#: 2120
CN: 2-octanol, 8,8-diethoxy-2,6-dimethyl-
Synonyms: none
Source: Bedoukian Res.
103
100 O
80
O
60
47
40 75
59
20 81
111 137 183 201
OH
40 60 80 100 120 140 160 180 200 220 240
119
100 H
105
80
60
41
40 91 161
55 77
20 204
69 133 145
189
40 60 80 100 120 140 160 180 200
528 Adams: Essential Oil Components by GC/MS
43
100
80 OH
60 207
105 161 H
40 81 91 H
55 119
20 67
133 147 179 189 222
40 60 80 100 120 140 160 180 200 220
43
100
H
80 O
O
60 125
140
40 55 O
20 67 81 93
111
165 235
40 60 80 100 120 140 160 180 200 220 240 260
175
100
41
91 119
80 107 133
60
55 77
40 161 220
65 145
20 187
202 OH
H
41
100 H
80 55
207
60 81 H
40 69 95 109 189 O
137 149
20 123 164
179 222
40 60 80 100 120 140 160 180 200 220
120
100 O
80
O
60
138
40 OH
43
20 65 92
55 208
137
100
80
60
166
40
43
20 77
51 65 94 122 208
40 60 80 100 120 140 160 180 200
530 Adams: Essential Oil Components by GC/MS
43
100
80 205
60 91 105
40 147
55 81 O
137
100 HO
80
60 180 O
40 91
HO
20 41 51 65 119 165
77
147
40 60 80 100 120 140 160 180 200
105
100
80 H
60 161
40 41 91
81 119 204
20 55 69 133 189 H
145 175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 531
43
100
80 E
161
60
105
40 119
91 OAc
55 69 77 133 176
20
147 194 236
43
100
80
60
163
40 191 234 O
91 149
81 109 123 157
20 55 135143 Ac
6571 176 200 219
40 60 80 100 120 140 160 180 200 220 240
123
100
80
Z
60
81
40
20 41 55 67 91 107
O
206
135 150
40 60 80 100 120 140 160 180 200
532 Adams: Essential Oil Components by GC/MS
59
100 OH
H
80
60
43 105 162
40 91 119 132
147
20 79
67 187
174 202
40 60 80 100 120 140 160 180 200 220
135
100
80 41
60 55
H
79 93 H
40 67 105 150
119 161 189 HO
20
179 204
40 60 80 100 120 140 160 180 200 220
147
100
O
80 192 Z
60 O
O-Me
40 91 119
53 65
20 77 133
43 161 177
43
100 H
O
80
O
60
55 93 140
40 111 O
20 67
81
133 153161 175 191 220
40 60 80 100 120 140 160 180 200 220 240 260
97
100
80
60 205
O
40 43 H
135
100
80 41
60 55 79 93 H
40 67 105 150 H
OH
119 161 189
20
179 204
40 60 80 100 120 140 160 180 200 220
534 Adams: Essential Oil Components by GC/MS
69
100 111
80
60 55
H
40 41 94
20 77
105 133 147 157 189 204
40 60 80 100 120 140 160 180 200
RT: 30.56 AI: 1542 KI: 1544 Sesquisabinene hydrate <cis-> (IPP vs. OH)
CAS#: 58319-05-4 MF: C15 H26 O FW: 222 MSD LIB#: 260
CN: bicyclo(3.1.0)hexan-2-ol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-
Synonyms: old trans-sesquisabinene hydrate (trans- relative to IPP vs. Me)
Source: Ayou oil ex P. Weyerstahl; 2.00 Aydendron barbeyana, FFJ 4:93(1989);
0.90% Strobilanthes auriculatus; 0.90% Zingiber officinale
41 OH
100
69 H
80
119
60 82 93
55
40
109
20 137 161 207
147 173179 189 216222
40 60 80 100 120 140 160 180 200 220
70 O
100
80 43 O
60 55
40 141
20 159
115 129 185 213 228
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 535
157
100
80
60
142
40
200
20 115 128 165 183
40 60 80 100 120 140 160 180 200
161
100
80
204
60 107 122
41 91 H
40 189
55 67 79 133
20 147 175
107 O
100
80
60
43
40 77 164
20 65 91 121
51 149
131
40 60 80 100 120 140 160 180 OH
536 Adams: Essential Oil Components by GC/MS
43 252
100 O O
80
60
40 139 164 182 237 O O
70 96 209
55 81 157
20 113 191
122 149 200 219
40 60 80 100 120 140 160 180 200 220 240 260
43 HO
100 98 135
80
60
83
40 55 77 107 122
69 175
20 149 163
204 H
59
100
80 E
E
60 43 93
161
40 67 81 107 OH
121
20 135 189
149 204
175
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 537
43
100
80 110 H
60 95
55 82
40 67 O H
121 149
20 135
164 177 187 205
220
40 60 80 100 120 140 160 180 200 220
41
100 55
HO OH
80 (CH2)10
67
60
82
40
95
20
109
131
100
O E
80
60 103 O
40 77
51
20 41 143 188
160 173
40 60 80 100 120 140 160 180 200
538 Adams: Essential Oil Components by GC/MS
59
100
80
93
60 43 161
67 81 107
40 121 OH
135 189
20 149
175 204
82 220
100
80
60 41
109 205
40 147 O
91 122 187
20 55 67
135 159 177
43
100 H
O
80
O
60
55
40 93 111 140
O
69
20 81
121 133 151161 175 218 235
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 539
43
100
OH
80 207
161
60
105
40 91
55 81 119 H
20 67 133 147 179 189 222
40 60 80 100 120 140 160 180 200 220
121
100
80
60
41 107
40 91
218
20 55 68 77 133 175 190
148 161
205 O
H
40 60 80 100 120 140 160 180 200 220
131
100
H OH
80
60
159
40 119 145
43 59 91 105 187 220
20 202
77
65 173
40 60 80 100 120 140 160 180 200 220
540 Adams: Essential Oil Components by GC/MS
133
100
80
60
41 91
40 105 161 203 O
77 119 148 218
20 55 65 175
190
40 60 80 100 120 140 160 180 200 220
177
100
80 H
60
41 O
40
55 69 91 97 220
77 105
20 119 135 149 159
205
40 60 80 100 120 140 160 180 200 220
132 160
100 O O
80 51
60
77 104
40
63
20
89
192 O-Me
100
E
80 O
60
65 91 133 O
40 77
51 119 147
20 103 161
177
40 60 80 100 120 140 160 180 200
151
100
80
60
166
40
20 123 133
43 55 77 95
122
100 41
80 107 191 206
60
55
40 91 137 OH
69 79
145
20 163
173
202
100 145 159
80 91 131
60
41 105 117 187
40 77
20 53 65
173
40 60 80 100 120 140 160 180 200
123
100
O
80
60
81 E
40
20 41 55 67 91 107 206
135 150
40 60 80 100 120 140 160 180 200
43 OAc
100
80 Z
60 119 134
40 109 190
20 55 67 80 91
151 175
161
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 543
208 O-Me
100
Me-O O-Me
80
193
60
40
20 77 133
53 65 91 105 118 150 165 177
161
100
107
80 93
41 204
60 121
79 135
40 55 H
189
20 67
147
175
40 60 80 100 120 140 160 180 200
177
100
H
80
60 41 O
97
40 55 69
91 220
79 105 119 159
20 135 149
205
40 60 80 100 120 140 160 180 200 220
544 Adams: Essential Oil Components by GC/MS
121
100
41
80
93 107 135
60 55
220
40 69 77
20 145151 161 175 187 OH
202 H
43
100
H
80 O
O
60
125 140
40 55 O
20
67 81 93 111
165 235
40 60 80 100 120 140 160 180 200 220 240 260
121
100 O H
80 81
41
60
108
40 220
55 93 147 192
67 136
20 177
159 205
121
100
80 93
41 105
60 67
79 161
40 53 133 204
147 189
20
175
40 60 80 100 120 140 160 180 200
43
100
80 207 OH
161
60
105
40 91
55 81 119
20 67 135 H
147 179 189 222
40 60 80 100 120 140 160 180 200 220
81 H
100
80
60
40
H H
41 O
20 53 123
67 91 107 164
135 149 191
40 60 80 100 120 140 160 180 200
546 Adams: Essential Oil Components by GC/MS
41 69
100
80
93
60
40 55 107
81
121 136 161
20
148 179 189 204
40 60 80 100 120 140 160 180 200 220
41
100
80
67
60 55
79 93 107
40 145
206
121 135 163 173
20 191
41 H
100
80
60 55 109
67 79 95
40 H
OH
121 133
20 147 161 189 207
175
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 547
69 O
100
E
41
80 O
60
40 93
80 121
20 53 136
107 154
40 60 80 100 120 140 160 180 200 220
162
100 E
80 131 O
60
91 119
O
40 65 108
51 77
147
20
157
100
80
60
40 142
200
20
115 129
165 183
40 60 80 100 120 140 160 180 200
548 Adams: Essential Oil Components by GC/MS
83
100
O
80 Z
60 55 O
40 109
41 136
20 93 236
69 121 153 221
40 60 80 100 120 140 160 180 200 220 240
43
100
O
80
60
40 108 O-Ac
150
59 82
20 95
67 135
111
100
O
80 41 93
55 69 H
60 O
40
20 81 125 236
139 153 167 180 221
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 549
60 73
100 41
80
60
40
129
85 157
20 101 115 143 171 200
40 60 80 100 120 140 160 180 200
105
100
82
80 67
60
40
51
20 41
135
100
80 E
107 O
60
40 41 91 149 164
57 79
20 65 220
191 205
40 60 80 100 120 140 160 180 200 220
550 Adams: Essential Oil Components by GC/MS
164
100
80
60
43
40 149
77 91
20 55 103 131
65 121 206
68 O O
100
Z
80
60
40
41
55
20 81 95
135 164 182
40 60 80 100 120 140 160 180 200
81
100 O
80 O
O (CH2)6CH3
60
40 98
20 41 53 224
127 137143151 167 181
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 551
43
100
HO
H
80
60 59 81 189
40 161 204
67 93 109 121
133 149
20
175
41 E
100 (CH2)9-CH3
O
80
55 70
60
83
40
20 97
111 121 135 152
40 60 80 100 120 140 160 180 200
111
100 H
41 122
80
55
60
81 95 161
67 204
40 147
HO
20 133 189
179 222
43
100 E
OAc
80
60 119 134
40 109 190
20 55 80 91
67 151 175
161
40 60 80 100 120 140 160 180 200 220 240 260
43 H
100
80
60 109
55
40 81 95
67 119 H
OH
20 133 161
149 189 204
175
40 60 80 100 120 140 160 180 200 220
208
100
80
60 193
40
20 69 77 124 165 177
53 91 105 118 133 147
41
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 553
208
100
80
60 193
40
20 69 77 124 165 177
53 91 105 118 133 150
41
57 E
100
HO (CH2)9-CH3
80
60 41
82
40 68
96
20
109
137 152 180
40 60 80 100 120 140 160 180 200
85 O
100 O
(CH2)6-CH3
80
60
40
41 55
20
69 128
137 148
40 60 80 100 120 140 160 180 200
554 Adams: Essential Oil Components by GC/MS
41
100
55
80
69
83
60
97
40
111
20 125
140 154 182
40 60 80 100 120 140 160 180 200
69
100
81
E
80
41
60
40 93
53 121 O
20 105 136 149 162 175 203
186 210218
40 60 80 100 120 140 160 180 200 220
177
100 43 O
80
60
40 91 110 119 135
55 81
H
220
20 69 149 159
205
189
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 555
111 OH
100
80
E
60 41
55
40 81 123
69 95 161
20 135 179 189 204
150
69
100 41
80 Z
60 OH
81
40
55
20 109 123 167
95 149
135 210
40 60 80 100 120 140 160 180 200 220
111 H
100
80
41
60 55
H
40 81
69 95 123 HO
20 161
135 149 179 189 204
40 60 80 100 120 140 160 180 200 220
556 Adams: Essential Oil Components by GC/MS
208 Me-O
100
80
Me-O O-Me
60 193
40 69
77 91 124 133 165
177
20 41 53 105 118 150
41
100
O
80
55 121
60
135
40 67 79 93 107 205
150 H
20 220
163 177 191
121
100
80
60
107 O
40 41 91 H
218
20 77 133 175
55 68 148 161 190
205
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 557
81
100 HO
80 43
E
60
E
40
71
123 161
20 55 93 105 149
133 207
177 189 222
40 60 80 100 120 140 160 180 200 220
120
100
80
60
40 138
20 43 92 208
65
218
100 H
80
60 91 161
133 203
41
40 55 105 119 176
77 147
O
20 65
185
137
100 OH
41
80
55 111
60 83
207
95 222 H
40 69 124 165 H
20 151 189
179
40 60 80 100 120 140 160 180 200 220
83
100 O
80 151
55
60 91
41 77 105
40
20 65
119 133 218
163 175 203
40 60 80 100 120 140 160 180 200 220
43
100
80 HO H
205
60 91
119
40 79 105 159
55 67 131 147 187
20 177 H
220
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 559
RT: 31.99 AI: 1577 KI: 1579 Sesquisabinene hydrate <trans-> (IPP vs. OH)
CAS#: 145512-84-1 MF: C15 H26 O FW: 222 MSD LIB#: 259
CN: bicyclo(3.1.0)hexan-2-ol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-
Synonyms: none
Source: Ayou oil ex P. Weyerstahl; 2.00% Aydendron barbeyana, FFJ 4:93(1989);
0.35% Phoebe porosa; 0.23% Zingiber officinale
OH
41
100 H
69
80
119
60 55 82 93
40
109 161
20 137 207
147 173179 189 216222
40 60 80 100 120 140 160 180 200 220
161
100
80
60
40
218
20
41 91 105 119 133 147
187 203
40 60 80 100 120 140 160 180 200 220
68 O O E
100
80
60
40
41
55
20 81 95
164 182
40 60 80 100 120 140 160 180 200
560 Adams: Essential Oil Components by GC/MS
105
100 O O
123
80
77
60
40
56
41
20 69 84
135 163 206
40 60 80 100 120 140 160 180 200
43
100
H
80 O
O
60
55 125 140
40 O
93
67 81 111
20
165 235
40 60 80 100 120 140 160 180 200 220 240 260
41 O
100
80 145
O
55
60
40 84 127
69
20
101
157 171 185 228
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 561
194
100
80 O
179
60 149
77 HO OMe
40 91 161
41 51 65 105
20 123 136
41
100 O
H
80 79
60 93
55 69
40 109 H
121
20 135 149 161 177 187 205 219
40 60 80 100 120 140 160 180 200 220
119
100
80
60
40
20 43 91
77 128135141 160 200
185
40 60 80 100 120 140 160 180 200 220
562 Adams: Essential Oil Components by GC/MS
41
100
69
80 Z O
60 93
57 O
40 85
121
20 136
107 154 169
40 60 80 100 120 140 160 180 200 220 240
RT: 32.25 AI: 1584 KI: 1585 Octanedioic acid, diethyl ester
CAS#: 2050-23-9 MF: C12 H22 O4 FW: 230 MSD LIB#: 1202
CN: octanedioic acid, diethyl ester
Synonyms: diethyl suberate; diethyl octanedioate
Source: Pfaltz & Bauer ex Art Tucker
55
100
80 41 69
143
60 83 97 185
40 115
20
128 156
RT: 32.25 AI: 1584 KI: 1585 Phenyl ethyl tiglate <2->
CAS#: 55719-85-2 MF: C13 H16 O2 FW: 204 MSD LIB#: 1281
CN: 2-butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
Synonyms: phenylethyl tiglate, β-
Source: Aldrich Chem.; 2.76% Pelargonium graveolens (China, Yunnan),
Acta Pharm. Sin. 24:366(1989); 2.25% Pelargonium graveolens (India);
1.61% Pelargonium graveolens (China, Chengdu)
104
100
80 O E
60
55 O
40 83
20 77
65 91
41
100 OH
80
55
H
60 69
79 95
40 109 H
125133140 149
119 207
20 161 189
175
221
40 60 80 100 120 140 160 180 200 220
81 121
100
80 OH
60 108
41
40 93
55 222
20 67 135 161
147 179 189 204
43
100
OH
80
123
60 55 95
69 81
40 109
133
20 151 161 189
204
175 222
40 60 80 100 120 140 160 180 200 220
564 Adams: Essential Oil Components by GC/MS
111
100 41
80 69 93
55
60
40
20 81
125 236
139 153 167 180 221
40 60 80 100 120 140 160 180 200 220 240
105
100 O
E
80
O
60
40
77
20 41 51 67
162 175 204
40 60 80 100 120 140 160 180 200
41
100
55
80
69 83
60 97
40
111
20 125
139 154 168 182 196 224
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 565
43
100
OH
80
55
60 140
107 119
69
40 81 91
133 161
20
148 174 189 204
195
40 60 80 100 120 140 160 180 200 220
43
100 H
80 149
164
60 95
69 HO
40 55 109 119
81 137 204
20 179 189 222
59
100 OH
80 41 E
67 79
60 E
53 93 107
40
121 149
20 135 161 189 204
176 222
40 60 80 100 120 140 160 180 200 220
566 Adams: Essential Oil Components by GC/MS
107
100 135 O
80 121
60 67
93
40 41 86
79 150
20 51
175 203 215
161 185
40 60 80 100 120 140 160 180 200 220
159
100
80
60
41
40 91 118 131
55 79 105
67
20 145 177 202
187
219
40 60 80 100 120 140 160 180 200 220
RT: 32.50 AI: 1590 KI: 1590 Diethyl phthalate (plastizer contaminant!)
CAS#: 84-66-2 MF: C12 H14 O4 FW: 222 MSD LIB#: 273
CN: 1,2-benzenedicarboxylic acid, diethyl ester
Synonyms: neantine; phthalol; solvanol; anozol
Source: ref. cpd. J. P. Vidal; 0.30% Boldea fragrans, Parf. Kosm. 55:225(1975);
0.12% Spartium junceum (absolute)
149 O
100
80 O-Et
60 O-Et
40
177
O
20 65 76
50 93 105 121 222
132
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 567
43 OH
100 H
80
60 109
69 161
40 55 81 93 122 189
H
41
100
69 E OH
80
60 81
40 55 123
20 95 109 149 167
137 177
40 60 80 100 120 140 160 180 200 220
119 H
100 O
80 H
60
40
41 91 105 132
20 55 77 145
65 71 99 157 175 185 203 218
40 60 80 100 120 140 160 180 200 220
568 Adams: Essential Oil Components by GC/MS
119 H
100 O
80 H
60
40
41 91 105 132
20 55 77 145
65 71 99 157 175 185 203 218
40 60 80 100 120 140 160 180 200 220
43
100
80
60 109
69 161
40 55 81 93
122 189
133 147 204
20
175 222
40 60 80 100 120 140 160 180 200 220
99 O O
100
80
60
40 42 55 71
20 114
83 142148155 166 184
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 569
147 E
100 O
80 192
O
O-Me
60
40 91 119
53 65
20 43 77 133 161
103 177
123
100
80
81
60
43 55
40 91 107
67
20 131
137 147 159 177
166 187195201209217
40 60 80 100 120 140 160 180 200 220
161
100
80
60 41
69
40 55 81 97 105 119
204
20 137
151 179 189
218
40 60 80 100 120 140 160 180 200 220
570 Adams: Essential Oil Components by GC/MS
88
100
80
60 41
101
40 55
73
20
115 129 143 157 171 183 199 228
40 60 80 100 120 140 160 180 200 220 240
163
100 107
80 59
60
H
40 41 81 93 H
67 149
20 121
135 204 222
179 189 OH
238 O-Me
100
Me-O
80
60
Me-O
40 223
163 192 O-Me
20 66 77 109 121 177
53 91 137 148 207
41
100
O
80 55 121
93 163 206
60 69 79 147
107
40 136
188
20 173
119
100
80
60 O
40 41 57 83
91 105 203 218
20 68 161
77 133 143
178
40 60 80 100 120 140 160 180 200 220
43
100
E
80 71 93
119
55 107
60
79 134 E
40 HO
41 85 95
100
80 189
119
60 55 109
69 204
40
133 161
20 151
179 222
40 60 80 100 120 140 160 180 200 220
43
100 151
80 95
60 69 81
55 109 HO
40
123
20 135 222
164
179 193 207
40 60 80 100 120 140 160 180 200 220
91 O
100
80
78
60
134
51
40 105
65
20
115
57
100 H3C (CH2)14-CH3
43
80
71
60
85
40
20 99
113 127 141 155 169 226
183 197
40 60 80 100 120 140 160 180 200 220
149
100
80 59
60
81
OH
40 41 91
108 164
20 67 121
135
189 204
40 60 80 100 120 140 160 180 200 220
95
100 H
43 H
80 150
60
81 HO
40 55 69 107 135
121
20 165 207
177 189 222
40 60 80 100 120 140 160 180 200 220
574 Adams: Essential Oil Components by GC/MS
161
100
80
60
59 105
40
41 81 93 119 133 189 204
20 67 147
176 222
41 69 O
100
80 57 E O
60
93
40
80
121
20 136
107
169
151 163 187 196 220229
40 60 80 100 120 140 160 180 200 220 240
43 H
100
H
91
80 145 157
59
60 131
79 105 117 O
40
65 200 H
20 185 H
170 218
60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 575
132 OH
100
80
43
60
145
40
91 105 117
20 202
55 65 77 159 187
40 60 80 100 120 140 160 180 200 220
107
100 135 O
80 121
60 67
93
40 41 86
79 150
20 51
175 203 215
161 185
40 60 80 100 120 140 160 180 200 220
43
100
H
80
60
69 109 122
40 55 81
95 161
H
69
100 41
Z
O
80
60 100 O
40
82 123
20 55 109 151
91 135 170 195 238
40 60 80 100 120 140 160 180 200 220 240
80
O
60 O
40
O
20 173
129 187
40 60 80 100 120 140 160 180 200 220 240 260
43
100
71
80 O
60
O
40 108 O
150
20 55 124
79 93 135 167 194
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 577
41
100 H
80 91
119
60 79 108
55 67 133
40 145 161 189 204 O
20 173
41
100
80
81
60 55 191
93 108 121
40 69 OH
H
135 179 207
20 222
149 161
122
100
O
80
60 230
94
40 H
O
65 215
20 41 53 77 107 135 145 162
115 175 187 201
69 O
100 41
80 O
E
60
57
40 93
85
20 121
107 136
169 207
40 60 80 100 120 140 160 180 200 220 240
41
100 69
80
60 81
40 93
20 55 107
121 135 151 161 179 191
40 60 80 100 120 140 160 180 200 220
43
100 Ac-O
(CH2)11-CH3
80
60
40 55
20 69 83 97 111 140 168
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 579
59
100
80
60 109
H OH
40 41 149
93
67 81 161 204
20 121 189
135 175 222
40 60 80 100 120 140 160 180 200 220
43
100
177 Ac
80 H
60
40 91 107
67 79 121
20 55 135 150 159 H
220
187 205
40 60 80 100 120 140 160 180 200 220
233
100
O O
80
60
40 41 163
79 248 O
91 107 135
20 53 70 119 145 177 187 205
43 O
100
Ac
80
60
81 Me-O O
40 209 224
20 53 67 125 139 149 181 192
95 163
40 60 80 100 120 140 160 180 200 220
91
100 119
41
80
105
60 79 131 202
67 159
HO
40 53
145 187
20
173
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 581
43
100 E
Ac-O (CH2)8-CH3
80
60
40
54 67 82
20 96
138 155 166 184
40 60 80 100 120 140 160 180 200 220
43
100
80 67 96 109 O
E
60
55 E
40 79 138
123
20
150 163 177 189 220
205
40 60 80 100 120 140 160 180 200 220
127
100 155 O
80
60
170
40
20 43 63 77
51 101
139
40 60 80 100 120 140 160 180
582 Adams: Essential Oil Components by GC/MS
41
100
80 57
60
82
40 69 96
20
110 124 138 151 168
40 60 80 100 120 140 160 180 200 220
41 O
100 H
H
80
55
60 121 191
107 149 220
40 83 91 164
67 177 205
20 135
120
100 OH
80
60 41
40 91
55 79 85 105
20 67 159
131 149 177 220
187 202
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 583
174
100
80 92 131
120
60
40 63
53
20 81 146
107
159
40 60 80 100 120 140 160 180
179
100
80 194 Me-O O-Me
60 121
40 151
69 77 91
20 51
105 135 165 O-Me
164
100
80
60
43
40
91 149
55 77 103 131
20 65 121 206
111
100 41 55 93
80 O
60 H
69 81 H OH
40
20 169
123 133 151
110
100 95 O
80
43 H
60
69 151
40 55 77 220
O-Me
Appendix III: Mass Spectra 585
208
100
80
60 193
40 165
20 69 91 137
53 77 105 150 177
40 60 80 100 120 140 160 180 200
119 NH2 O
100
80 O
60
40 92
65 137 193
20 41
146 175
40 60 80 100 120 140 160 180 200
95
100
H
80 150
HO
60 43
81 119
40 69 135
55 107 161
20 204
177 189 222
40 60 80 100 120 140 160 180 200 220
586 Adams: Essential Oil Components by GC/MS
41
100 OH
80
161
60 69
55
40 91 105
79 98 119 133139 175 222
148 189 204
20
93
100
80 Z
60
40 41 59 81 OH
121
20 67 107 136
189 204
149 161 175
40 60 80 100 120 140 160 180 200 220
161
100 119
80 41
179
60 105
55 81 204
40 95
69
20 135 147153 189 222
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 587
109 OH
100 H
80 41
60
55 79 93 161
40 67 204
179
20 121 135 153 189
147 222
119 H
100 O
80 H
60
40 91
41 105 132
20 55 77 145
65 71 162
175 185 218
40 60 80 100 120 140 160 180 200 220
119
100 H
O
80 H
60
40 91
41 105 132
20 55 77 145
65 71 162
175 185 218
40 60 80 100 120 140 160 180 200 220
588 Adams: Essential Oil Components by GC/MS
43 OH
100
80
71
60
Z
40 HO
55 82
20 96 110 119 137 152
40 60 80 100 120 140 160 180
222
100
O
80
60
Me-O O
40 177
149 207 O-Me
20 53 77 106 121
65 91 134 161 191
41
100
55 205 O
80
60
40 67 82 95 123 220 H
109
135 191
20 149 164 177
266 O O
100 41
80 57
251
60 196
40 69 96 178
O O
185
100
80
60 200
40 157
143
20 41 115 129
57 65 78 84 91 122 163 177
40 60 80 100 120 140 160 180 200
189
100
80 161
204
60 133
59 OH
40 41 91 105
81 149
20 67 119
175 222
131
100 O
80 E
O
60 103 148
77
40
20 51
41 189 204
40 60 80 100 120 140 160 180 200
41
100
80 81 O
60 69
95
55 O
40 123
20 109 138
136
100 H
80
218
60 O
40 41 91 163
53 77
20 121 175
67 105 149 203
190
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 591
41 O
100 H
H
80
55 164
60 121
107 149
40 79 91
177 191 220
67
138
20 205
91 O
100
80 O
60
40 43
65 136
20
55 129
220
40 60 80 100 120 140 160 180 200 220
592 Adams: Essential Oil Components by GC/MS
105 O
100
80 77
60
40 51 182
20
126 152
40 60 80 100 120 140 160 180 200
43 O
100
80
H
60
O
40 55
69 95
20 83 139
111 124 153 166 209 224
181
40 60 80 100 120 140 160 180 200 220
119
100
H
80 161
60 41 105
40 204
55 95
69 82 179 OH
20
135 147 189 222
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 593
55
100 41 93 111
80 O
60 69 H
81 H OH
40
20 151 167
123 133
205
40 60 80 100 120 140 160 180 200 220 240
205
100
H
80
60 41 220
55
40 123
67 82 95 107 191
135 149 164 177
O
20
41 O O
100
80 266
196 251
60
57 O O
40 69 96
81
111 126 163 223233
20 139 154 181
209
59
100 OH
43 161
80
60 91 119
79 105
40
67 135
147 189 204
20
179 222
40 60 80 100 120 140 160 180 200 220
175
100 H
41 69
H
80
60 134
40 55 91
77 107
O
20 147 218
120 161 189 203
40 60 80 100 120 140 160 180 200 220
43 159
100
80 97
60 55 79 91
109 119 177 202
40 69
131 149 OH
20 191 220
189
100 161
80 204
60
59 133
91
40 43 105
81
20 67 119 147
175 222
95 H
100
80
60 O
40
41 123
55 79 218
20 69 105111
133 147 161 179 189 204
40 60 80 100 120 140 160 180 200 220
69
100 41
80
60
40 81
93
20 55 107
123 136 151 161 179 191 207 222
40 60 80 100 120 140 160 180 200 220
596 Adams: Essential Oil Components by GC/MS
119
100
HO
80
60 41 59 93
105
40 79
67
20 134 147 161 204
175 189
40 60 80 100 120 140 160 180 200 220
108
100
HO
80
O
60
43
40 93
O
20 55 71 81
119 137 152159 177 202
40 60 80 100 120 140 160 180 200 220 240
67 O
100 41
139
80 O
81
60 93
55
40
111
20
152 178 196
110
100 H
80 67
41
60 91
O
40 77 97
53 119
20 131 145 173 201 216
159
183
40 60 80 100 120 140 160 180 200 220
RT: 34.16 AI: 1632 KI: 1634 Hexenyl phenyl acetate <(3Z)->
CAS#: 42436-07-7 MF: C14 H18 O2 FW: 218 MSD LIB#: 814
CN: benzeneacetic acid, 3-hexenyl ester, (Z)-
Synonyms: cis-3-hexenyl phenylacetate
Source: ref. cpd. ex Art Tucker; 0.05% Tilia cordata, FFJ 1:57(1986)
91
100
82
80
67
60
40 41
55
20
137
40 60 80 100 120 140 160 180 200 220
41 136 OH
100 HO
80
55 68 O
109 O
60
95 154 164
40
82
20 121
182
40 60 80 100 120 140 160 180 200
598 Adams: Essential Oil Components by GC/MS
RT: 34.24 AI: 1635 KI: 1636 Hexenyl phenyl acetate <(2E)->
CAS#: 68133-78-8 MF: C14 H18 O2 FW: 218 MSD LIB#: 2049
CN: benzeneacetic acid, (2E)-2-hexenyl ester
Synonyms: none
Source: Bedoukian Res.
91 O E
100
80 O
60 55
40 41 83
20 65 218
118 127
40 60 80 100 120 140 160 180 200 220
43 119
100
80 161 HO H
60 105
81
40 55 93
71 134 179
20 204 222 H
147 189
43
100
80 135
60
40
157 200
20 69 91 119
55 143 185
171
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 599
119 HO
100
80 59
60 43 93
40 79 105
67 161
20 134 204
149 189
40 60 80 100 120 140 160 180 200 220
139 O
100
80
60
91 168
40
51 63
20 77 114
153 161
40 60 80 100 120 140 160 180
161
100
80 H
60
40 43 81 204
105
20 95 119 134 189 H
55 67 OH
145 176182 218
40 60 80 100 120 140 160 180 200 220
600 Adams: Essential Oil Components by GC/MS
41
100 H
80 136 OH
60
69
79 91
H
40
55
105
20 117
149 159 174 192 204
40 60 80 100 120 140 160 180 200 220
41
100 H
80 136
OH
60
69
79 91
40 H
55
105
20 117
149 159 174 192 204
40 60 80 100 120 140 160 180 200 220
133
100
80
60
40 43 105 O
20 85 91
55 69 79 117 145 218
159 177185 200
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 601
41
100 O
H
80
91
60 55 67 79
105
40 H
119 133 147
20 159 177 189
205 220
40 60 80 100 120 140 160 180 200 220
133
100 41 H
H
80 69
91 105
60
55
79 O
40 175
123 147 218
20 162 189 203
161
100
80 59
119
60
43
93 107 147 204
40 189
79 135
20 67 175 OH
222
40 60 80 100 120 140 160 180 200 220
43
100
H
95
80
121 161 204
60
40 71 79 105
58 H
OH
20 189
133 149 222
179
40 60 80 100 120 140 160 180 200 220
104
100 O
80 O
60
40
43
20 7177 91
43
100 93
HO
80 151
O
60
40 55 133
69 81 194
20 107 121
161 176 205 220 238
40 60 80 100 120 140 160 180 200 220 240
123
100
80 163
41 178
60 107
55
81 93
40 137 O
67 220
20 149 205
187
40 60 80 100 120 140 160 180 200 220
209 O-Me
100
224
80
60
Me-O O-Me
40 166
95 151 178
53 63 69 77
O-Me
20
41 121 194
137
40 60 80 100 120 140 160 180 200 220
604 Adams: Essential Oil Components by GC/MS
41
100
80
60 93 107
55 67 187
79 H
40 OH
43 108 O
100
O
80 OH
60
40 71
93
55 155
20 79 119 137 161 170179 225
197204
60 80 100 120 140 160 180 200 220 240
20 55 105 149
162 175
133
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 605
161
100
H
80
43
60
119
40 105
95 204
55 79
20 69 133
H
147 189 HO
177
40 60 80 100 120 140 160 180 200 220
43
100 161
80 H
119
60 95 105
55 81 179
40 204
69
20 133 OH
149 189 222
40 60 80 100 120 140 160 180 200 220
187
100
80
60
40
20 43 144 202
115 128 159
40 60 80 100 120 140 160 180 200
606 Adams: Essential Oil Components by GC/MS
59
100
80
60 43 119 161
93 107
40 79 OH
67 135 147 189 204
20
222
176
40 60 80 100 120 140 160 180 200 220
91
100
O
80 132 H
41 79
60
105 117
40 53 65 169 202
20 145 161
H
184
133 O
100
80 O
60
40 77 105
20 51
41 144 190
161 172
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 607
129
100
91 117
80
60 145
202
40 41
51 65 77 173
20 104 159
187
40 60 80 100 120 140 160 180 200
83
100
41
80
60 55
67 95
40 151
109
20 224
121 133 193 206
167 177
40 60 80 100 120 140 160 180 200 220
59 HO
100
H
80
159
60
40 43 106
91 147 H
20 79 119 131
65 187 202
173
40 60 80 100 120 140 160 180 200 220
608 Adams: Essential Oil Components by GC/MS
59
100
80
60 149
40
41 108 164
67 81 93 122
20 135 189 204 222
175
40 60 80 100 120 140 160 180 200 220
41
100
80 148
91
60 77 105 121 135
55 69
40 161
175
20 218
203
182190
40 60 80 100 120 140 160 180 200 220
69
100 41 H
H
80
60 55 135 162
91 177
109 118
40 79
149 187 205 220 HO
20
69
100 41 H
H
80
60 55
91
40 79 109 118 135 162 177 OH
20 149 187 205 220
69
100
41
80
60
100
40
123
20 53 82 151
135 170 195
40 60 80 100 120 140 160 180 200 220 240
43
100
80
60 59
223
40 69 95 109 162 238
81
123 147 205
20 140 181
187195
43
100
80
81 107
60 189
55 67 93 121 161
40
147 204 OH
133
20 175
222
40 60 80 100 120 140 160 180 200 220
59
100
80
149
60 161 204
189
40 41 93
81 107
20 67 122 133
175 222
119
100
43
80
60 59
79 93 109
40 71 149 161 204
133
20 189
175 218
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 611
43
100 95
80 121
60 204
161
40 81 105
71
55 137
20 149 189
179 222
40 60 80 100 120 140 160 180 200 220
208 Me-O
100 O
80
163 O
60
40 193 O-Me
53 77
20 64 107 135
92 120
150 179
123
100
80
60 41 107 163
55 81
40 93 137 178
O
69 149
20 205 220
192
40 60 80 100 120 140 160 180 200 220
612 Adams: Essential Oil Components by GC/MS
43 OH
100
80
60
71
40
107 125
20 57 139
81 95 154
OH
83
100
80
60
40
41 55 156
20 67 96 109 137 169 195 226
40 60 80 100 120 140 160 180 200 220
222 O-Me
100
O
80
60
53 177 O
O-Me
40 195
69 77 121 133 161
20 43 91 105 149 207
69 O
100 41
80 E O
60
57 85 93
40
20 121
107 136
154
40 60 80 100 120 140 160 180 200 220 240
182
100
80
60
40
51 65 96 111
20 79 139 167
43 153
55
100
80 83 O
60 Z
41
O
40 67
95
20 101109 123 138
161
100
80
59
60
40 204
43 93 107 135 149
79 119 189
20 67
175 222
40 60 80 100 120 140 160 180 200 220
OH
43
100
80 O
109
60 71 O
40 HO
41 222 H
100
83 138
80 98
55
60 67 125
40 109 161 207
H
OH
108
100
80
60 216
40
41 79 91
20 145
53 65 115121 131 159 173 187
201
43
100
80
60 81
71 135
40 55 95
109 161 189 204
121
20 147
175 222
40 60 80 100 120 140 160 180 200 220
616 Adams: Essential Oil Components by GC/MS
43 HO
100 H
80
60 81
55 71
40
93 135
109 189 204
20 121 147 161
175 222
40 60 80 100 120 140 160 180 200 220
205
100 Me-O O
80
60 Me-O
40
20 161 220
43 51 69 77 91 189
131 144 173
40 60 80 100 120 140 160 180 200 220
95 108
100
80
41 81 H
OH
60
55 123
40 137
69
20 150 159 187 205
176 220
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 617
157
100
80
60
40 203
43 142 OH
20 91 115 128 175
77 105 185 218
40 60 80 100 120 140 160 180 200 220
41
100 107
H
55 93
80
60 69 119
81 163
40
133 189 204 222 OH
20 179
147
59
100
80
60
109
40 41
67 81 95 166
20
123 135 151 191 206
40 60 80 100 120 140 160 180 200 220
618 Adams: Essential Oil Components by GC/MS
161
100
80
60 122
40 59 107
41 204
81 91 189
20 67 133 149
175
40 60 80 100 120 140 160 180 200 220
41
100
81 124 220 O
80
69 96 109
60 135
55 161
40
177
149
20 192 205
59
100 79
43
80 93 136
60
69
40 105
20 117 149 192
159 177
43 HO
100 H
80
60
67 81
40 55
93 109 161 189 204
20 125
135 147
175 222
40 60 80 100 120 140 160 180 200 220
41
100 H
OH
80
Z
69 91
60
79
55 105
40 H
133
20 119
145 164 187
177 205
40 60 80 100 120 140 160 180 200 220
55
100 41
80 81
60 67 95
40 123
109 138
20
93
100
80
60
40 41 59 81 E
121
67 107 136
20 189 204
149 161 175
40 60 80 100 120 140 160 180 200 220 OH
E
100 117 129
91
80
60 145
202
40 41
77 173
20 51 65 104 159
187
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 621
137 OH
100 Z
80 180
HO
60 124
O-Me
40 91
55 65 77 103109
20 131 147
41 164
40 60 80 100 120 140 160 180 200
43 Z (CH2)7-CH3
100
80
O
60
54
40 67 82
96
20
109 125 138 166
149156 177 206 224
40 60 80 100 120 140 160 180 200 220
157
100
80
60
40 43 142
200
20 91 115 128 175
77 105 185 218
40 60 80 100 120 140 160 180 200 220
622 Adams: Essential Oil Components by GC/MS
55 120
100 O
80 41 67 82
O
Z
60
138
40 92 OH
20
220
83
100
80
60
119
40 55
20 41 91 132 216
65 77 98 105 145 159 173 183
201
69 O
100
80 95 E
41
60 163
40
57 85 107 178
79 120 135
20 127 145 205 220
151 192
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 623
85
100
80
60 41
O
40 79 91
55 67 105 119
20 134 145 159
174 187 202
41 OH
100 H
80
91 E
60 69 79
55 105
40 133 H
119
20 145 159 187
177 205
41 82
100 H
OH
80 93
60 55 69
111
40 119
20 204
134140147154161 189
40 60 80 100 120 140 160 180 200 220
59
100
107
80
93
41 135
60
79 161
40 119
67 189
20 147 204
175 222
40 60 80 100 120 140 160 180 200 220
41
100 55
80 69 83
60 97
40
111
20 125
139 153 168 196
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 625
159 O
100
80
O
60 Z
77 103 131 146
40
50 188
20
63 115
173
40 60 80 100 120 140 160 180 200
41 222
100 138 H
82
80 55 109
69
93
60 119 151 161
40
HO
179
20 189 204
41 OH
100 82
80
60 93
55 69
40 111119
20 204
134140147154161 189
40 60 80 100 120 140 160 180 200 220
626 Adams: Essential Oil Components by GC/MS
119
100
80 132 OH
60
93 H
40 41 105 H
55 77 145
20 65 161 187 220
173 202
40 60 80 100 120 140 160 180 200 220
93
100
80 Z
OH
60 41
79 107 121
40
55
20 67
133 187 202
147 159 173 220
40 60 80 100 120 140 160 180 200 220
41
100
98
80
55 125
67
60 81
40 109
222 O
20 161
138 151 179
189 207
184 OH
100
80
60 106
40 78 165
91
20 51
63 115 128 152
141
40 60 80 100 120 140 160 180 200
43 O
100 108
O
80
HO
60
40 71 95
20 55 79 121
137 152
161
167 204
60 80 100 120 140 160 180 200 220 240
RT: 35.75 AI: 1674 KI: 1675 Salicylic acid, hexyl ester
CAS#: 6259-76-3 MF: C13 H18 O3 FW: 222 MSD LIB#: 1373
CN: benzoic acid, 2-hydroxy-, hexyl ester
Synonyms: hexyl salicylate
Source: Pfaltz & Bauer ex Art Tucker
120 O
100
80 O
60
40 138 OH
43
65 92
20 222
55
172
100
80 43 128
115
60 156 214
141 199
183
40
53 63 91 165
20 77
102109
208
100
80
60
193
40
165
20 69 77 91 137
43 53 105 119 150 177
202
40 60 80 100 120 140 160 180 200
201
100
80
60
40
185 216
20
128 141 158 171
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 629
183
100
80
60
198
40 168
20 153
128 141
40 60 80 100 120 140 160 180 200
91
100
80
79
60 173 HO
41 105 117
40 131
53 67
20 145
157 204
147 O
100
41 122
80 175
91 105
133
60
55 77
40 84 161 203
69
20 218
189
40 60 80 100 120 140 160 180 200 220
630 Adams: Essential Oil Components by GC/MS
59 HO
100
H
80
60 43
91 159
40 79 105 H
85
100 O O (CH2)7-CH3
80
60
40
41
20 55
69 128 136
151 162 180
40 60 80 100 120 140 160 180 200
59
100
80
43
O
60 95
40 79 159
109 121 135 H OH
67 175
20 147 203 236
187 221
222
100 O-Me
80 O
60
O
40
149 177 207
20 65 77 91 121 133 195 O-Me
53 106 161
134
100
80
60 41
40
69
20 77
53 91 105 117
202
40 60 80 100 120 140 160 180 200
632 Adams: Essential Oil Components by GC/MS
119
100
132
80 OH
60
93 H
40 41 105 H
55 77 145
20 65 161 187 202 220
173
40 60 80 100 120 140 160 180 200 220
83
100 41
80
60 95
55
67
40
109 151
20 117 133 224
177
167 193 206
40 60 80 100 120 140 160 180 200 220
41
100
80 H
91 159
60 79 133
55 105 176
40 121
69
20 202
147 220 H
187 OH
43
100 H O-Ac
80
60
93
40
67 81 107 121
55 161
20 133 147 189
175 204
40 60 80 100 120 140 160 180 200 220 240 260
147
100 134
80 41 55
91
60 117
77 105
40
65 161 O
20 218
185 203
175
40 60 80 100 120 140 160 180 200 220
131
100
80
60 43
119
145 159
H O-Ac
40 187 202
91 105
20 55 77 262
67 173
40 60 80 100 120 140 160 180 200 220 240 260
634 Adams: Essential Oil Components by GC/MS
119
100
132
80 OH
60
93 H
40 41 105 H
55 79 145
20 65 161 187 220
173 202
40 60 80 100 120 140 160 180 200 220
119
100
132
80 OH
60
93 H
40 41 105 H
55 79 145
20 65 161 187 202 220
173
40 60 80 100 120 140 160 180 200 220
RT: 36.05 AI: 1682 KI: 1682 Methyl dihydro jasmonate <trans->
CAS#: 2630-39-9 MF: C13 H22 O3 FW: 226 MSD LIB#: 1093
CN: cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R-trans)-
Synonyms: hedione
Source: Firmenich ex Art Tucker
83
100
80
60
40
41 55 153
20 67 96 109 135 169177 195 226
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 635
RT: 36.06 AI: 1682 KI: 1683 Amyl cinnamyl alcohol <α->
CAS#: 184900-07-0 MF: C14 H20 O FW: 204 MSD LIB#: 2179
CN: 1-heptanol, 2-(phenylmethylene)-, (E)-
Synonyms: none
Source: Bedoukian Res.
133
100
80 91
60 115 H3C-(H2C)4
E
40 41 55 105
204
20 99 148
65 71 77 OH
161 173
40 60 80 100 120 140 160 180 200
43
100 HO
80 69 109 119
60 H
40 93
55 204
20 79
134 161
148 175 189
40 60 80 100 120 140 160 180 200 220
69 O
100
41
80
Z
Z
60
81
40
55 95 109
20
121 133 159 177
40 60 80 100 120 140 160 180 200 220
636 Adams: Essential Oil Components by GC/MS
43
100
80
93
60
67
40 141
55 79
107 121 134
20 150
160 178 200 218
40 60 80 100 120 140 160 180 200 220 240
41
100 H
80 55 81 161
60 69 95 109
119
204 222
40 135
HO
148 189
20 179
RT: 36.16 AI: 1684 KI: 1685 Longiborneol acetate (=Juniperol acetate)
CAS#: 36204-27-0 MF: C17 H28 O2 FW: 264 MSD LIB#: 1024
CN: 1,4-methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, acetate,(1R-(1α,3aβ,4α,8aβ,9S*))-
Synonyms: juniperol acetate
Source: acetylation of juniperol (6077)
43
100 204
80
60 161 189
119
40 55 95
69 85 109 133
20 147 175
222 264
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 637
43
100
OH
80 69
109 119
60 H
93
40 204
55
79
20 134 147 161
175 189
41
100
80 E
91 109
60 55 79 159
40 67
121 133 OH
20 145 177 220
187 202
97 O
100
80 68 O
60
40 41
20 55
136 150 168
40 60 80 100 120 140 160 180 200
638 Adams: Essential Oil Components by GC/MS
159
100 OH
80
41
60
67 79 91
40 55 105
119 131 220 H
20 146
177 187 202
119
100
80
60 105
91
40 41 55 132
77 145 189 220
20 67 161
173 202
69
100
E
80 41
60 81
40 123
55 95
20 181 OH
109 163
137 149
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 639
164
100
80 O
60 43
91
79 121
40 55 206
149
20 107 136 H
65
191
40 60 80 100 120 140 160 180 200
84
100
80 41
60 55
OH
69 109
40
93 121
137 161
20
151 179 189 204 222
43
100
80 O
60 109 H
55 93 O-Ac
40
69 81
20
135 149 167 209 221
40 80 120 160 200 240 280
640 Adams: Essential Oil Components by GC/MS
41
100 Z
80 69
60 O
40 55 84 93
20 109 133
121 177
149 159 187 202 220
40 60 80 100 120 140 160 180 200 220
94
100
80
79 OH
60 43 59
40
69 109 121 147
20 138 162 HO
177 187 205 223
40 60 80 100 120 140 160 180 200 220 240
93
100
80 119
60 43
40 55 79 107 132
20 68
145
159 173 187 202
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 641
41
100
80
OH
95
60 55
67 107 138
40 79 121
82 109
100 135
41
80 O
150
60 93 121
177
55 220
40 69
164
20 191 205
111 HO
100
80
60
40 41 55 69 93
20 82 139
119 133 153161 222
189 204
40 60 80 100 120 140 160 180 200 220
642 Adams: Essential Oil Components by GC/MS
107
100
80 135
67
60
41
40 53 91 121
79 175
20 147 218
161 185 203
83
100
80
60
40 55 105 119
20 41 77 91
134 147 157 185 203 218
40 60 80 100 120 140 160 180 200 220
218
100
80
60 41 O
91 147 175
40 55 105 133
119 161
20 67 77 203
189
69 83 O
100
41 E E
80 O
60 55
93
40
121
20 136
107
167
40 60 80 100 120 140 160 180 200 220 240
189
100 H
80
H
60 41 95
105
40 69 O
55 79 119 133
20 218
147 159
173 202
40 60 80 100 120 140 160 180 200 220
41
100
O
109
80
82 135
60
55 69 93 121
40 177
149 220
20
164 192 205
40 60 80 100 120 140 160 180 200 220
644 Adams: Essential Oil Components by GC/MS
43 O
100
58
80 (CH2)12-CH3
60
40 71
20 85
127 139 153 166 183 193 219226
40 60 80 100 120 140 160 180 200 220
83
100 O
80 43
60
40 141
O
69
100
41
80 Z
60
93 Z OH
40 81
55 107
20 119
133 161 204
147 179 189
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 645
223
100 Me-O O
80
195
60
40 OH O
41 69
20 111 125 135 163 238
55 77 95 153 205
181
40 60 80 100 120 140 160 180 200 220 240
119
100 41 OH
80 109
55
93
60 82 H
69
40 137 222
151 204
161
20
179 189
40 60 80 100 120 140 160 180 200 220
177
100
220
80
41 121
60
93 107
40 55 135
HO
69 79
205
20 149 159
187
93
100
80
55
60 41
40 79
67 133
20 105 120
147 161 175 190 219
40 60 80 100 120 140 160 180 200 220
43
100
80
60 55 81 161
67 91 105 189
40 133 204
122
20 147 222
175
40 60 80 100 120 140 160 180 200 220
57
100
43
80
71
60
85
40
20 99
113 127 141 240
155 169 183 197 211
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 647
159 OH
100 H
80
60 220
41 93
40 105
55 77 H
20 67 119 133
145 177 187 205
RT: 36.77 AI: 1700 KI: 1700 Methoxy cinnamic acid <(4E)->
CAS#: 943-89-5 MF: C10 H10 O3 FW: 178 MSD LIB#: 1745
CN: 2-propenoic acid, 3-(4-methoxyphenyl)-, (2E)-
Synonyms: ρ-methoxycinnamic acid
Source: ref. cpd. ex E. von Rudloff
178 O
100
E
80 OH
60 63 77 89
161 Me-O
40 133
45 51 118
20 107
147
40 60 80 100 120 140 160 180
43 O-Ac
100 H
80
161
60 55 189
111121
69 81 93 105
H
40
133 148 204
20 175
222
40 60 80 100 120 140 160 180 200 220 240 260
648 Adams: Essential Oil Components by GC/MS
209
100 O-Me
80 Ac
60
224
40 Me-O O-Me
43
20 77 166 191
53 67 83 91 107 123 135 151 177
43
100
80 O
O
60
40 69
82
20 55 95 109
121 135 150
165 175 192 208 218 236
40 60 80 100 120 140 160 180 200 220 240
159
100
80 131
60
115 202
40 91 145
20 41 51 63 77
103
173 185
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 649
94
100
OH
80 Z
60
40 41 79
122
20 55 67 107
134 152 161 173 187 202
40 60 80 100 120 140 160 180 200 220
91
100 H
41 107 O
80
55 122 161 189
60 135
79
40 147 204
65 176
20
43
100 E
AcO (CH2)9-CH3
80
60
40
55 67 82 96
20
109 138 152 169 180 198
40 60 80 100 120 140 160 180 200 220 240
650 Adams: Essential Oil Components by GC/MS
91 O
100
H
80 107
60
41 162 175
40 79 218
59 69 117 149
H
20 133
189 203
40 60 80 100 120 140 160 180 200 220
99 O O
100
80
60 41
55 71
40
20 84 114
127 136 151 162 180
40 60 80 100 120 140 160 180 200
83
100
80
60
40
55 119
20 41 91 105
77 203
134 157 185 218
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 651
41 OH
100
H
80 95
60 55 67 79
40 109
121 135 H
20 191
147 161 179 207 222
40 60 80 100 120 140 160 180 200 220
209 OH
100
Ac
80
60 43 224
Me-O O-Me
40
20 55 77 166
67 83 91 123 135 177 191
107 151
160
100
80
60
92 120 188
40 131
20 63
51 77
41 173
145
40 60 80 100 120 140 160 180 200
652 Adams: Essential Oil Components by GC/MS
223 O-Me O
100
80
60
Me-O O-Me
40
20 165
43 77 91 135 150 179 193 208 266
41
100
80 E
69
60
40 55 81
O
93 133
20 107
123 177
151159 187 202 220
40 60 80 100 120 140 160 180 200 220
41 91
100 H
80 123
105 218 O
60 55 77 133
69 147
40
20 175 189 203
161
41
100
55 146
80
60 O
105
40 69 91 134
77 216
83
20 119 160 173 187 201
40 60 80 100 120 140 160 180 200 220
175
100 OH
80
60
40
20 218
128 145 160
41 69
100
80 Z E
O
60 81
40
53 95 109
20 123 136
149 159 177 187 202 220
40 60 80 100 120 140 160 180 200 220
654 Adams: Essential Oil Components by GC/MS
43
100
80
O
E
60 67
E
55
40 81
93 109
20 121 137
151 163 177 187 205 220
40 60 80 100 120 140 160 180 200 220
41
100
79 E
80 E
119 E
60 67 91
55 HO
40 105
133 150
20 159
179 189 202 220
40 60 80 100 120 140 160 180 200 220
41
100
95 H
H
80 109
81
55 67 HO
60 H
H
40
121 135
20 154
161 177 189 207 222
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 655
119
100
80
60
40 91 Z
41 133 O
20 77 105 145 158
57 65 97 174180 191198 209
40 60 80 100 120 140 160 180 200 220
69
100
Z
80 41
OH
60 E
40 81 93
20 55 107 121 136
147 161 179 191 204
40 60 80 100 120 140 160 180 200 220
177
100
220
80 41
121
60 93
55 107
40 69 79 135 HO
104
100 O
80 O
95
O
60
40
20 51 65 77
128
40 60 80 100 120 140 160 180 200 220
69
100
80 E
41 Z
60 84
40 O
118
100 O
80
S N
60 90
75
40
105
20 42 61 209
162
133
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 657
94
100 OH
Z
80
60
40 79 122
41
20 55 67 105 133 147 161 173 189 202 220
40 60 80 100 120 140 160 180 200 220
135
100
80
60
40 148 218
41 121
20 91 115
55 69 77 83 161
175 203
40 60 80 100 120 140 160 180 200 220
658 Adams: Essential Oil Components by GC/MS
83
100
80
105 Z
60 135 175
41 55 O
40 91 119
67 150 203
20 157 218
185
O
159
100
O
80
60 E
77 103 131 146
40
50
20 41 188
91 115 175
40 60 80 100 120 140 160 180
226 O-Me
100
Me-O
80
60 211 O-Me
Me-O
40
155 195
O
20 53 59 66 77 109 125 137 183
168
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 659
43
100
OH
O E
80
60 H
55 O
40 93
85 113
20 67
125 138 151 166 237
193
40 60 80 100 120 140 160 180 200 220 240 260
107 O
100
77
80 O
60
40
51 192
20 41 85
91
65 135 163
40 60 80 100 120 140 160 180 200
164
100
80
60 138
40
20 86 110
63 74 98
43
100
80
60 229
40
Ac
57 173 244
20
93 115 128 141 155 165 187 201 213
40 60 80 100 120 140 160 180 200 220 240
108 O
100
80 79 O
60
40
H
41
20 53
65 91 137 194
40 60 80 100 120 140 160 180 200
74
100
80
60 87
43
40 55
20 143
101 129 157 171 185 199 211 242
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 661
69
100
E
80 41
60 Z OH
40 81 93
20 55 107 121 136
147 161 179 191 204
40 60 80 100 120 140 160 180 200 220
41
100 69
80
60
109 148
40 135 O
53 79 91 121 175
20
161 203 218
189
40 60 80 100 120 140 160 180 200 220
119
100
80
60 132
40 105
43 91
20 77 145
55 65 157 185 200 218
171
40 60 80 100 120 140 160 180 200 220
662 Adams: Essential Oil Components by GC/MS
161
100 43 105
80
60 91
119
40 79 133 147 204
55 189
67
20
175
40 60 80 100 120 140 160 180 200 220 240 260
237 O O
100
80
60
43 Me-O O
40
81 209
20 55 69 177
91 109 125 139 149 167 191 219
252
119
100
80
60
40 91 E
41 133 O
20 77 105 145 158
57 65 97 174180 191198 209
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 663
178
100
80 77 107 135
60 147
51
40 89
63 118124
20 161
119
100
80
132
60
93 105 Z
40 43 OH
55 79 145
20 220
69 159 173 187 200
40 60 80 100 120 140 160 180 200 220
41 H
100 H
80 HO
95 109
55 67 81 H
H
60
40
121 135 151
20
163 177 189 207 222
40 60 80 100 120 140 160 180 200 220
664 Adams: Essential Oil Components by GC/MS
205
100 H
OH
80 189
91 105 161
133
60 41
79 119
40 55 67 147
20 220
173
169
100
80 184
60
40 153
115 128 141
20 51 63 77 89
69
100 43
80
60
40 93
107 135 189
79
20 55 119 161
148 176 204
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 665
107
100 41
135
80 96 E
53 E
E
60 67
79
40
218 O
121
20 150 163 189
175 203
105 H
100
80 41 HO
O
60 133
91 147
40 55 67 119 189
77
165173 234
20
206 219
40 60 80 100 120 140 160 180 200 220 240
41 O
100
80 91
55 79 105 175 E
60 67
133
40
121 147 189 218
20 161 203
137
100 E OH
180
80
HO
60 124
O-Me
40 91
55 65 77 103109
20 131 147 162
43
40 60 80 100 120 140 160 180 200
41
100
79 176
80 91 107
133
218
60 119 161
53 67
40 147
203 O
20
185
55 O
100
80
105 148 161 O
60
77 Z
40 190
20 41 91 120 133
65
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 667
94
100
OH
E
80
60
40 79
43 122
20 55 67 107 133 147 161 173 189 202
43
100 153 O
80
H
60 135
40
71
20 55 81 95 111 177 238 H
163 187 205 220 OH
69
100 43
80
60
93
40 81
107
20 55 121 133
148 161 189 204
40 60 80 100 120 140 160 180 200 220 240 260
668 Adams: Essential Oil Components by GC/MS
131
100
80
60 103
70 77 147
40
41 55
20
175 218
40 60 80 100 120 140 160 180 200 220
123 H
100
80 79 112 S
60
H
40 41
91 236 H
20 55 67 97 105
131 147 159 193 203
40 60 80 100 120 140 160 180 200 220 240
69
100
E E O
80
41
60 84
40
20 55
93 123 136 149 159 177 191 205 220
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 669
137 O
100 H
80
110
60 41
95
40
55 82
69 220
20 123
150 163 177 192 205
169
40 60 80 100 120 140 160 180 200 220
43
100 H
H
80
69
60
91 118
40 177 220
55
159
20 79 105 135 Ac-O
145 187 202 262
40 60 80 100 120 140 160 180 200 220 240 260
670 Adams: Essential Oil Components by GC/MS
189
100 H
119
80 91 150
60 41 133
105 159
79
40 67
55 HO
20
173 202 220
40 60 80 100 120 140 160 180 200 220
69
100
E
80 41
60 E
40 81 93
20 55 107 121 OH
136
147 161 179 191 204
40 60 80 100 120 140 160 180 200 220
187
100
91
80 41
OH
105 220
60 55 79 123131 145
40 67 205
159
20 177
41
100 59 79
80 93
107
60 68
40 147
121
20 133 162
177 187 205 220
40 60 80 100 120 140 160 180 200 220 240
68
100 H
80
O
60 41 122
79 95 O
40
53 135 232
20 109 150
161 175 189 203 217
40 60 80 100 120 140 160 180 200 220 240
43
100
80
60 143
40 71 93
55 107 125
20 79 85 132
159 179
40 60 80 100 120 140 160 180 200 220 240
672 Adams: Essential Oil Components by GC/MS
129
100
80 91 115
E
60 145
40 41 216
O
20 55 65 82 104 159 173
185
40 60 80 100 120 140 160 180 200 220
137 O
100 H
80
41
60 110
95
40
55 67
20 82 123 220
149 163 177 191 205
40 60 80 100 120 140 160 180 200 220
146
100
80
O
60
216
40
41 91 131
20 55 115
69 77 83 105 160 173 187 201
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 673
136
100
80
121
60
218
40 41 148
55 91
20 69 77 107115 161
175 203
40 60 80 100 120 140 160 180 200 220
195 O-Me O
100
80
60
40 Me-O OH
20 152 238
41 69 109 180
137 165
40 60 80 100 120 140 160 180 200 220 240
119
100
80
132
60 93
40 41 105
Z
55 77 145 OH
20 68
159 173 187 202 220
40 60 80 100 120 140 160 180 200 220
674 Adams: Essential Oil Components by GC/MS
119
100
80
60 132
40 105
43 91
20 77 145
55 65 157 185 200 218
171
40 60 80 100 120 140 160 180 200 220
91
100
H
80 146
202
60 41 159 187
79 105
40 55 117 131
67 H
O
20
173 218
40 60 80 100 120 140 160 180 200 220
55
100 93
80
79 119 134
60 107
41
40
20 65
148 161 200207 219
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 675
207 O
100 41 H
69 OH
80
55 109
60
95 123
40 83 236
20 135 149 189
167175 221
40 60 80 100 120 140 160 180 200 220 240
221
100
80
43
60 97
40 55 137
67 81
20 109
121
151 165 177 203 236
40 60 80 100 120 140 160 180 200 220 240
104 E
100 43
80
91 O-Ac
60 117
40
55 188
20 65 131
145 159
40 60 80 100 120 140 160 180 200 220 240
676 Adams: Essential Oil Components by GC/MS
41
100
80 91 105 218
119
60 55 133 147
77 175 O
40 161
65
20 203 H
189
43
100 93
80 79
60 67 119
55 105 134 159
40 Z
OH
20 145 187 202
174
68 91
100 41
80 79
60
40 55 105
119
20
133 161 189
203
100
HO O
80
60
Ac
40
20 43 185 218
128 160 175
40 60 80 100 120 140 160 180 200 220
41
100 203
91
80 218
105 147 161
60 77 119
133 175
55
40 O
65
185
20
79
100 41
91 135
80
67 105
60 55
40
119 147
20 177 189
159 202 220
40 60 80 100 120 140 160 180 200 220
41
100 H
OH
80 79 91
105
55 121
60 67
109
100
80
60
124
40 41
55 69
20 81 91 191
222
135 149 161 177 207
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 679
139
100 OH
Z
80 43
O
60
40
20 95 107
53 67 81 119 159
170 187 202 220
40 60 80 100 120 140 160 180 200 220 240
41
100
80
55
60 91 105
O
69 79 133
40
20 119 148 218
161 175 189 203
40 60 80 100 120 140 160 180 200 220
204
100 43
119 161
80
60 175
93 105
40 69
55 79 133 147 189
20
222
40 60 80 100 120 140 160 180 200 220 240 260
680 Adams: Essential Oil Components by GC/MS
41
100
80 91 105
H
60 77 157 O
55
40 67 133
122 147 218
175
20 H
189 203
91 161 OH
100
41
79 105
80
189
60 55 119 145
131 220
67
40
20 205
173
195 O-Me
100
Ac
80
60
Me-O OH
40 210
20 43 55 69 77 180
152
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 681
41
100 69
80
60
40
79 109
53 91
20 175
121 133 147 161 189 202 218
40 60 80 100 120 140 160 180 200 220
121
100
H
80
60 41 91 105
77
203
40 135 149 161
55 67 175 218 O
20
190
40 60 80 100 120 140 160 180 200 220
129
100
91 117 Z
80
60 145 O
216
40 41
20 55 65 77 104 159 173
185
40 60 80 100 120 140 160 180 200 220
682 Adams: Essential Oil Components by GC/MS
41 91
100
105
79
80 187
55
60 67
OH
40
161
20 173
43 55
100
69 83
80
97
60
40 111
20 125
139 154 168 182 210219
40 60 80 100 120 140 160 180 200 220 240
218
100
80 41 O
20 65 203
189
220 OH
100 H
41
80 159
91 187
60 105 145
55 81
40 67 119
131 177 H
20 205
43
100
80
60
40
161
20 69 91 105 119
55 77 135 147 175 189 203 213
231 246
108 O
100
80 O (CH2)6-CH3
60
40
57
20 41
77 127 234
40 60 80 100 120 140 160 180 200 220 240
684 Adams: Essential Oil Components by GC/MS
209 O-Me O
100
80
60
Me-O O-Me
40
20 136 151
41 77 165 179 194 252
40 60 80 100 120 140 160 180 200 220 240 260
83
100
80
60 135
55 123
40
41 107
67 91 203 218
20 150
163 175 190
40 60 80 100 120 140 160 180 200 220
43
100 93
80
Z
60
O-Ac
79 121
40 107
55 67 187 202
20 132 145 159
174
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 685
159
100
80 41 91 105
H
60 79
OH
40 55 67 131
117 147
20 177 189 H
202 220
183
100
80
198
60
40
153 168
20 128
115 141
161
100
43
80
119
60 204
93 107 147
189
40 79
133
55 67
20 175
231 249 264
40 60 80 100 120 140 160 180 200 220 240 260
686 Adams: Essential Oil Components by GC/MS
43
100 69
80 93
Z
60
40 55 81 107
O
20 121 136
147 161 175 189 204 223
40 80 120 160 200 240 280 O
69 OMe
100 E E
80 O
60 41
40 114
81 121
20 53 136 147
93 107
166175 191 207 219 235 250
40 60 80 100 120 140 160 180 200 220 240 260
43
100
189
80
161
60 204
55 91 105 133
40
67 79 119
147
20
175
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 687
43
100
OAc
80
60
177
40 HO
71 159
20 55 81 139
95 109 121 202 220 237
187195
145
40 80 120 160 200 240 280
56
100
80
60 41
40
73 201
20 183
83 101 116 129
143 157 171 213 256
40 60 80 100 120 140 160 180 200 220 240 260
43 O O
100
80 (CH2)4-CH3
60
96 O O
40 55 69 81 210
111 154 224 237 280
20 126 139 167
181 196 247 265
43
100 119
80
132
60
93 105
145 202
40
55 68 77 187
20 159 262
173
220
40 60 80 100 120 140 160 180 200 220 240 260
41
100
69
80
60
40 93
79 109
55
20
119 135 149 159 177 189 205 220
40 60 80 100 120 140 160 180 200 220
41 55
100
80 83 97
69
60
40 111
20 125
139 154 168 182 224 252
196
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 689
43
100
80
60
40
161
55 67 79 91 105 204
20 119 133 147 189
175
40 60 80 100 120 140 160 180 200 220 240 260
97
100 H
O
80
41
60
55 69 135
40 123 220
79 91 107 205
20 163
149 177
187
40 60 80 100 120 140 160 180 200 220
43
100
80
60 59
40 79 93 107
119 147 162
20 69 133 187 202
177 219 238 264
40 80 120 160 200 240 280
690 Adams: Essential Oil Components by GC/MS
41
100
80 91 OH
105 E
60 202
55 79 119
40 67 161 187
131 145
20
173 220
43 O-Me
100
O
80
O
60 137 O
40
71 151 163 180
20
64 77 92 250
43
100
93
80
119
60
132
40
55 68 79 107
20 145
159 173 187 202
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 691
43
100
80
60 161
40 189 204
81 91
H O-Ac
107
55 67 119 133
20 149 175
234
241
40 60 80 100 120 140 160 180 200 220 240 260
120
100
43
80
60 162
92
40
63 84
20 56 77 100
88
100
80
60 43 101
40 55
73
20 157
115 129 143 171 185 199 213 227 256
40 60 80 100 120 140 160 180 200 220 240 260
692 Adams: Essential Oil Components by GC/MS
55 O
100
80
O
60 105 148 161
77 E
40 190
20 41 91 120 133
65
43
100
80
119
60 93
69 109
40
55 79
20 204
134 148 161
189
40 60 80 100 120 140 160 180 200 220 240 260
57
100 (CH2)16
43 H3 C CH3
80
71
60
85
40
20 99
113 127 141 254
155 169 183 197 211 225
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 693
223 O-Me O
100
80
60
Me-O O-Me
40
20
41 165 280
135 150 179 193 208
40 80 120 160 200 240 280
43
100
80
119
60 93
109
40 69
55 79
20 134 147 161 204
189
40 60 80 100 120 140 160 180 200 220 240 260
219
100
O
80
60 O
40
69 O
20 41 57 79 135 190 234
91 149 163 177 205
40 60 80 100 120 140 160 180 200 220 240
694 Adams: Essential Oil Components by GC/MS
91
100 41 189
80 H
60 79 105 OH
133
55 117 220
40 67 159 177
150
20
202
40 60 80 100 120 140 160 180 200 220
68 H
100 O O
80 41 93
60 55 134
108 119 H
40 79 145 161
20
173 193 219
105
100
80 77
60
40 51
20
152 165
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 695
195 O-Me O
100
80
60
Me-O O-Me
40
20
137 152 165 180 238
40 60 80 100 120 140 160 180 200 220 240
94
100
O-Ac
80 43 Z
60
40 79
20 55
67 107 122 134
202
145 159 173 187
40 60 80 100 120 140 160 180 200 220 240 260
696 Adams: Essential Oil Components by GC/MS
147
100 41
80 91 121
79 133 161
105 203 O
60 175 190
40 53 67
218
20
120 O
100
80
138 O
60
41
40 57 OH
70
20 83 92 112 250
43 OH
100 HO
H
80
109
60
67
40 55
81 95 137 205
20 121
147 159 177 187 220
219
100 O
80
O
60
40 O
177
69
20 41 55 79 234
91 135
149 163 191 203
40 60 80 100 120 140 160 180 200 220 240
147
100
80 43 162
59
60
91 H OH
40 79 105
67 133 OH
119
20
177 187 205 223
40 60 80 100 120 140 160 180 200 220 240
41 164
100 145
119 H
80 219
91
60 55 79
40 67 105 191
131 OH
20 173 234 O
202
40 60 80 100 120 140 160 180 200 220 240
698 Adams: Essential Oil Components by GC/MS
41
100 151
69 236
80 137 O
109 O
60 55 81 123
98
40 166 203
194 221
20
175
149
100 43 59
80
60
40 71 81 95
109
123
164
189
135 204
20 182
175 225
40 60 80 100 120 140 160 180 200 220 240
223
100 O-Me O
80
60
Me-O O-Me
40
20 165 280
41 135 150 179 193 208 249
40 80 120 160 200 240 280
Appendix III: Mass Spectra 699
160
100 O
80
60
40 120 O
92
20 44 51 64 131 202
77 173179
147
40 60 80 100 120 140 160 180 200
69 O
100
E E
80 OH
60
41
40
20 81 100
53 121 136 193
147 180 221 236
40 60 80 100 120 140 160 180 200 220 240
94
100
80 Z
60 43
O-Ac
40 79 122
20 55 67 107 134 147 159
173 187 202
40 60 80 100 120 140 160 180 200 220 240 260
700 Adams: Essential Oil Components by GC/MS
153
100 OH O
80
H
60
HO OH
40
69
20 41 53 108
136
40 60 80 100 120 140 160
41
100
151 O
80 69 137 236 O
109
60 81 123
55 98
40 166 203
194 221
20
175
43
100 H
H
80
Ac-O
60
40 95
55 67 81 109 161 H
137 O
100 119
80 O
Z
60
65 92 NH2
40 41 55
20 219
69 E
100
41
80 Z
60 O-Ac
93
40 81
55 107 136
20 121 189
161 204 264
147 179
40 60 80 100 120 140 160 180 200 220 240 260
41
100
80 67 136
91
60 55 107 121 218
79
40 161
147 176
20 203
185
40 60 80 100 120 140 160 180 200 220
702 Adams: Essential Oil Components by GC/MS
43 159
100
80
60 132
40 91 105
117 202
20 55 67 79 145
174 187
40 60 80 100 120 140 160 180 200 220 240 260
43
100 69 93
80 E
80 O
60
107
40 55 O
123
20 135
149 161 189 204 223
40 80 120 160 200 240 280
109
100 S
S 218
80
60 65
40
51 154 185
20 77
140
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 703
81 O (CH2)11
100
80
60
40 41 95
53
20 67 107
121 135
147156 207 246
40 60 80 100 120 140 160 180 200 220 240
RT: 41.37 AI: 1827 KI: 1828 Benzeneacetic acid, 3-methylphenyl ester
CAS#: 122-27-0 MF: C15 H14 O2 FW: 226 MSD LIB#: 269
CN: benzeneacetic acid, 3-methylphenyl ester
Synonyms: m-cresyl phenylacetate; m-tolyl phenylacetate
Source: Pfaltz & Bauer ex Art Tucker
118
100 91
80
60
40
65
20 51 77 108
226
40 60 80 100 120 140 160 180 200 220
43
100 O (CH2)12-CH3
80
O
60 60
40 102
73 228
20 83 129 211
143 157 171 185 199 270
40 60 80 100 120 140 160 180 200 220 240 260 280
704 Adams: Essential Oil Components by GC/MS
119
100
80
60 43 132 Z
40
105 Ac-O
91
20 143 158 200 260
65 77 171 185 218
40 60 80 100 120 140 160 180 200 220 240 260
41 55
100
80
60 69
40 83
96
20 110 124
138 152
165172180 194 204211 222 240
40 60 80 100 120 140 160 180 200 220 240
157
100 OH
80
60 185
40 59 200
119 129 145
20 43 218
91 170
40 60 80 100 120 140 160 180 200 220
Appendix III: Mass Spectra 705
134
100 HO O O
80
162
60
78
40 51 105
20 63
69
147
40 60 80 100 120 140 160 180
277
100 Ac-O O
80
60
43
40 O
20 79 163 292
55 69 9197107 135
145 178189 207217 235 249
40 80 120 160 200 240 280
43
100
Ac-O
80 161
H
91 105
60 133 204
55 67 79 189
40 119
20 148
175
40
20 152 252
41 69 137 165 180
40 60 80 100 120 140 160 180 200 220 240 260
262
100
80
181 205 233
60
219 O
40 41
175 191 247
67 79 91 166 Me-O
20 53 O
137 149159
105 121131
109
60 55 67 N
O N
40 82
42
20
137 150 165
164
100 O
80 E
60
40 57
20 41 149 O-Me
91 133 248
40 60 80 100 120 140 160 180 200 220 240
185
100
80
60 218
40 O
41 91 147 161 203
20 77 105 121
55 67 133 175
209 O-Me O
100
80
60
Me-O OH
40
20 266
41 77 166
136 151 179 195 223
40 60 80 100 120 140 160 180 200 220 240 260
708 Adams: Essential Oil Components by GC/MS
69 OH
100
41
80
60
98
40
20 53 109 124 173
O
77 131 145
151 164 234
191 201 216
40 60 80 100 120 140 160 180 200 220 240
70 O
100
80 O (CH2)10-CH3
60 43
40
55
20
129 143 157 171 183 201 227 270
40 60 80 100 120 140 160 180 200 220 240 260 280
55 148
100
80
105
60 161
77
40 204
41
91 120 133
20
63 69
175
40 60 80 100 120 140 160 180 200
Appendix III: Mass Spectra 709
69
100 E
80 41
60
93 E
40 81
107
20 55 136 O-Ac
121 161 181
147 191 204 249 264
40 60 80 100 120 140 160 180 200 220 240 260
104 O (CH2)6-CH3
100
80 O
60
40
57
20 41
79 91 127
40 60 80 100 120 140 160 180 200 220 240
153
100 163
80 234
41
60 191 219
OH
91 177
40 53 67 137 201
77 105 O
20 115121
40 55 65 94
77 161 178
140
20 131 189 203 213
231
262
100
233
80
60 181
205 219 O
40
41 191 247
166175
Me-O
20 53 67 79 91 159
O
105 121131
137 149
119
100 132
43
80
60
93 105 Z
40 77 145 Ac-O
55 68
20
159 202
171 187 212 260
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 711
59
100 41
80 107
147
60 93 H OH
40 69 81 187 OH
119 133 202
20 159 220
177
238
40 60 80 100 120 140 160 180 200 220 240
43 O
100
80 Z
Z
60 69
81
40
20 53 95 107
121 135 149 161 178 193 204 219 262
40 60 80 100 120 140 160 180 200 220 240 260
43 OMe
100
185
80 H
60 143
91 158 200
40
105 119
55 77 129
20 65 171 260 H
223 OAc
195 OH
100
80
60
Me-O O-Me
40
20 238
137 152 165 180
40 60 80 100 120 140 160 180 200 220 240
123 O
100 41
80 91 OH
55
60 69 105 149
77 111
40 234
133 163
20 191
173 205 219
91
100
80
60
40
20 65 228
149
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 713
43
100 282
80
60
40
77 91
20 5157 65 103
115 128
143 160 175 190 297
205 218 236 251 265
40 80 120 160 200 240 280
217
100 Me-O O
80
60 Ac
40
20 43 232
131 145 160 174 185 201
40 60 80 100 120 140 160 180 200 220 240
209
100
80
60 Me-O OH
40
20 266
41 136 151 166 179 194 235 251
40 60 80 100 120 140 160 180 200 220 240 260
714 Adams: Essential Oil Components by GC/MS
94
100
80 E O-Ac
43
60
40 79
122
20 55 67 107 134
145 159 174 187 202
40 60 80 100 120 140 160 180 200 220 240 260
43
100 H
OH
H H
80
60
40
55 81
95 107
H
20 67
121 139147 162 OH
177 187 202
40 60 80 100 120 140 160 180 200 220 240
209 O-Me O
100
80
60
Me-O O-Me
40
20
136 151 165 179 194 266
40 60 80 100 120 140 160 180 200 220 240 260
Appendix III: Mass Spectra 715
55
100 43
80 69 83
97
60
40 111
20 125
139 154 168 196 224
40 60 80 100 120 140 160 180 200 220 240
93
100
41 67
80 81
107
121
60
55
40 133
147
161 175 189 257
20
201 215 229 243
264272
40 60 80 100 120 140 160 180 200 220 240 260 280
200
100
80
Z
60 115 O O
50
40 76 128
42 102 157 170
20 63 141 185
257
100
272
80
201
60 41 216
91 105 119 145
40 55 133 159 173
187
20 69 79 229
243
40 60 80 100 120 140 160 180 200 220 240 260 280
119
100 137
80 O
60
O NH2
40
41 65 92 219
20 55
131 O
100 82
80 O
Z
67
103
60
40
41
51
20 149
277 Ac
100
Me-O O
80
60
Me-O
40
O-Me
247 292
20 43
131
145 159 175 189 203 219229 261
40 80 120 160 200 240 280
43
100 O
80 E
Z
60 69
40 81
20 95 107
55 125 136 151161 178 193 204 219 262
40 60 80 100 120 140 160 180 200 220 240 260
43
100
O-Ac
H
80
60 177
40 150 220
135
71 79 91 107 121 205 H
20 55 159 187
Ac-O
43 O
100
O
80
60 108
71 O
40 O
93 135
20 152 223
55 79 121
179 239
80 120 160 200 240 280 320
Appendix III: Mass Spectra 719
43
100
80
59 147
60 162
H OH
40 O-Ac
91 105
20 67 79 119 133 187
174 202
40 80 120 160 200 240 280
200
100
80
60
115
50 E
40 76 128
102 157 170
20 42 65 91
141 185
O
215
100 O
80
O
60 230
40
159 187
20 43 51 63 72 80 91 115 197 O
128 141147 175
40 60 80 100 120 140 160 180 200 220 240
720 Adams: Essential Oil Components by GC/MS
160
100
80
60
41 228 O
40 69 173
76
20 104 132 195
50 115 144 185 213
40 60 80 100 120 140 160 180 200 220 240
257
100 H H
80
60
40
41 80
20 55 67 93 107 121 272
136 149 161 175 187 201
215 229 243
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 721
67
20 177 205
220
40 60 80 100 120 140 160 180 200 220 240
57
100
43
80
71
60
85
40
20 99
113 127 141
155 169 183 197 211 225 239 268
40 60 80 100 120 140 160 180 200 220 240 260
257
100
80
60
41
216
40 91 105 119 145 201
55 135 161 173 272
20 69 79 187
207 229 243
40 60 80 100 120 140 160 180 200 220 240 260 280
277 O-Me
100
Me-O O
80
60
Ac
40
43 247 292 O-Me
20
131 146 159 175 189 203 217 229 261
40 80 120 160 200 240 280
257 H
100
80
41
60 91 105
119 161
40 55 69 79
H
134 187
175 215 230
20 147 272
201
243
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 723
43
100 161
80
189
60 75
93 105 220 H H OH
40 81 135 147
55 119 202
HO
67
20
173
40 60 80 100 120 140 160 180 200 220 240
RT: 44.38 AI: 1913 KI: 1913 Phenyl ethyl phenyl acetate <2->
CAS#: 102-20-5 MF: C16 H16 O2 FW: 240 MSD LIB#: 1279
CN: benzeneacetic acid, 2-phenylethyl ester
Synonyms: phenylethyl phenyl acetate, β-; benzyl carbinyl α toluate
Source: Givaudan ex Art Tucker
104
100
80
60 91
40
20 65
51 77
43
100 161
80
189
69 OH
60 75 91 105 147 220
40 55 135 HO
119 202
20
178 234
40 60 80 100 120 140 160 180 200 220 240
74
100
80
87
60
40 43
55
143 227
20 270
101 129 157 171 185 199 213 239
40 60 80 100 120 140 160 180 200 220 240 260 280
41
100
80 134
55 91 105 203
120
60
79
40 67
147 161 257 272
20 175
187
215 229 243
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 725
59
100
80
60
43 218
40
91 163
20 79 105 119 147 175 203
67 135 190
40 60 80 100 120 140 160 180 200 220 240
41
100 67
80 55 82
60 96
40
109
20 123 136
149 164 177 196 210 224234 252
199
100 O-Me
80 184
60
128 156
40 O
76 101 N
20 50
44 63 87 113 140
149 170
40 60 80 100 120 140 160 180 200
726 Adams: Essential Oil Components by GC/MS
134
100 272
80
41 91 105
60 H
55 122 148
40 69 81 257 H
187 HO
100 159
O
80
41
60
131 144 230
40 77 91 173
115
55 6369 103
20
207 220
162
100
80
60 O
40
41 131 OH
20 55 91 117 150 232
69 7783 105
176 187
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 727
257
100
80 106
41 93 272
60
79
40 123 134 159 187
55 69 202
145
20 230
177 215 243
40 60 80 100 120 140 160 180 200 220 240 260 280
257
100
41
80 H H
60 55 80
67 91
40 105
121
136 149 272
20 161 175 201
187 215 229 243
40 60 80 100 120 140 160 180 200 220 240 260 280
41
100 55
80
60
69
40 83
97
20 111 124
138 152 165 179
185194 208 236 254
40 60 80 100 120 140 160 180 200 220 240 260
728 Adams: Essential Oil Components by GC/MS
93
100 41
81 105
80 119
E
55 Z E
60 229 E
133
67
40 147 161 272
173 189
20 201 257
215 243
40 60 80 100 120 140 160 180 200 220 240 260 280
43
100
80
60 H O-Ac
OH
40
81 149 204
20 55 67 95 109 123 135 161 189
222
179
40 80 120 160 200 240 280
143 H
100 O O
119
80 159
91
60 105
41 H H
40 77 131
55
20 65
171 187 203 217 232
109
100 O
80 124 H H
O
60
40 41
55 69 91
20 81 98
133 151 163 173 191 219 234
40 60 80 100 120 140 160 180 200 220 240
71
100
80
E
60
40 43
20 55 OH
82 95 123 137 151 165 179 193 278
40 80 120 160 200 240 280
71
100
80
60
43
40
20 55
82 95 123 137 152
40 80 120 160 200 240 280
730 Adams: Essential Oil Components by GC/MS
68
100 93
80 41 81
107 121
60 53
40 133 257
147 161
20 175 189 201 216 272
229 243
40 60 80 100 120 140 160 180 200 220 240 260 280
137
100
80
60 41 257
81 95
40 55 105 272
69 123
20 148
161 175 187 204 216 229
244
40 60 80 100 120 140 160 180 200 220 240 260 280
81 107
100
H H
80 41 91 232
53 122
60
147
40 67 136
20 163 217
175 189 199
105
100
69 O
E
80 41 O
60
77 93
40
121 136
20 51
189
40 60 80 100 120 140 160 180 200 220 240 260
41
100 O (CH2)14CH3
80
55 OH
60
40 73
256
20 83 129 213
97 115 143 157 171 185 199 227
40 60 80 100 120 140 160 180 200 220 240 260
232
100
96
80
60
41 147 161
40 81 189
133
20 55 107115121 176
65
203 217
40 60 80 100 120 140 160 180 200 220 240
732 Adams: Essential Oil Components by GC/MS
69
100
81 Z
80 41
Z
60 OH
40 55 93
20 107
121 135
147 161 189 203 272
40 80 120 160 200 240 280
43
100
80 59
60 147 162
H OH
O-Ac
40
91 105
20 67 79 119 133 187 202
173 220
40 80 120 160 200 240 280
247
100
80
60 95 109
41 55 81
40 69 123 151
137
177 191 261 276
20 165
205 231
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 733
68
100
80 93
41 81 107 121
60
53
40 133
147 161 257
20 175 189 201 215 229 272
243
40 60 80 100 120 140 160 180 200 220 240 260 280
120
100
272
80
60 106
41 91 H
40 133
55 67 81 161
20 147 257
173 187 201 217 229 244
H
40 60 80 100 120 140 160 180 200 220 240 260 280
133 H
100 O
O
80
60
H H
40 41
55 79 93 105 145 206
20 67 119 161
173 189 219 234
137
100
80
257
60 41 81 95
40 55 105 272
67 121
20 148 161
175 187 204
219229 244
40 60 80 100 120 140 160 180 200 220 240 260 280
147 178
100
O O
80
60 41 Z
40 69
89 118
20 63
53 77 133 160 215
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 735
79 93 107
100 41
257
80 55 67 204
189
216
60 121 133
40 147 272
161
175
20 230 243
40 60 80 100 120 140 160 180 200 220 240 260 280
257
100 41
80
91
60 79 H
55 67 105 119
40 133 149 161 175
187 H
40 60 80 100 120 140 160 180 200 220 240 260 280
736 Adams: Essential Oil Components by GC/MS
157
100 O-Ac
185
80
60 200
40
43
142
20 115 128
91 170 219
40 60 80 100 120 140 160 180 200 220 240 260
187
100
80
60 41 159 272
40 105
55 69 81 91 119
20 131 145
173 201 215 229 244 257
40 60 80 100 120 140 160 180 200 220 240 260 280
148
100
80
176
60
40 91
51 65
20 120
41 131137
40 60 80 100 120 140 160 180
Appendix III: Mass Spectra 737
43
100
80
60 279
40
20 294
5157 65 77 91 103 115 128 146 160 174 191202 215
232 247 262
40 80 120 160 200 240 280
40 216 H
91 131 145 159 173
55 77 105 119 276
20 69 183
233
40 60 80 100 120 140 160 180 200 220 240 260 280
257
100
275
80 43 O
H
60 55 81
67 95 177 192
40
109 123 137 H
20 149
163 201 220230 245
40 80 120 160 200 240 280
738 Adams: Essential Oil Components by GC/MS
43 55
100
97
80 83
69
60
111
40
125
20 139 153
168 182 196 208 252 280
41 69 OH
100 81
Z
Z
80
60
55 95
40
137
20 109 121
149 163 177 191 205 274 292
217 231
40 80 120 160 200 240 280
Appendix III: Mass Spectra 739
161
100
80
60 41 230
105
77 175
OH
40 115 147 197 212
69 133 169
20 51 91
210
100
80
60
165
40 152
195
20 51 63 89 115 179
76 105 128 139
40 60 80 100 120 140 160 180 200 220
88
100
80
60 43 101
40 55
73
20 157
115 129 143 171 185 199 213 227 241 255 284
94
100 H
106
80
H
60 41
119 163
40 55 257 272
69 79
20 125134 147 175 187 229
201 213 244
40 60 80 100 120 140 160 180 200 220 240 260 280
213
100
80
O O O
60
40
20 185 228
128 157 171
141 199
40 60 80 100 120 140 160 180 200 220 240
57
100
43
80
71
60
85
40
20 99
113 127
141 155 169 183 197 211 225 239 253 282
40 80 120 160 200 240 280
41 79 93 107
100 H H
80 55 67
204
60 189 257
121 133 216
40 147 272
161
20 175
229 244
40 60 80 100 120 140 160 180 200 220 240 260 280
43
100
80
60
55
40 61 69 83 97
20 111
125
139 153 167 196 224
40 80 120 160 200 240 280
742 Adams: Essential Oil Components by GC/MS
67 95 177 192
40 137
109 123 H
20 149
163 205 220230 245
162
100
80 190
60
40
51 77 91
20 44 63 105 115 133 147
55
100 41
80 98
86
60 227
40 69
112 125 187 211
20 155
141149 173
180 197 270
241252
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 743
219 O
100
80
O
60
151
41 234
40
91 H
55 69 77 105 123 163
20 177 189 201
137
229
100 41
80 91 257 272
60 55 69 81 105
123
40 133 147 187
159 175
20 201 215
243
40 60 80 100 120 140 160 180 200 220 240 260 280
134
100
H
80 MeO
60
40 57 O
41 79 107
20 85 167 234
67 91 127 151 177 191 206
40 60 80 100 120 140 160 180 200 220 240 260
744 Adams: Essential Oil Components by GC/MS
69 OH
100 E
Z
41
80
60 81
40 95
55 137
20 109121
149 163 177 191 205 231 245 274 292
40 80 120 160 200 240 280
91
100
80 41
60
134
40 55 69 105
81 148 272
117
20 H
212 O
100
80
60 41 105
197
77 144 162
40
69 115 133 169
175 OH
20 51 91
85 230
109 221
100 OH
80
41 O
60
40 55 69 189
81 91 124133 H
20 147 161 175 204 232 250
40 60 80 100 120 140 160 180 200 220 240 260
43
100 O (CH2)14-CH3
80
O
60
60
40 102
73 256
20 83 129 239
143 157 171 185 199 213 227 298
40 80 120 160 200 240 280
69
100 E E
HO
80
60 41
81
40 93
55 107
20 121 136
147 161 189 203 272
40 80 120 160 200 240 280
746 Adams: Essential Oil Components by GC/MS
41 69 81
100
80 OH
E
Z
60
95
40 55 137
20 109 121
149 163 177 191 205 217 231 245 274 292
40 80 120 160 200 240 280
216
100
80
60 173
40 89 201
63
20 145
45 51 75 188
131 159
40 60 80 100 120 140 160 180 200 220
55
100 Z (CH2)6-CH3
80 41
91 OH
60
40 115
77
67 103 131
20 141 159
173 187 229
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 747
40 177
165
20 152
51 63 89 115 128 139
40 60 80 100 120 140 160 180 200
257 H
100
80 41 229
91
60 105 213 272
55 69 81 125 H
147
40 133 187
161 175 201 H
20
244
40 60 80 100 120 140 160 180 200 220 240 260 280
219 O
100
OH
80
60 H
O
40 43
91 107 135
20 55 67 77 177 187
H
117 145 159 201 230
40 60 80 100 120 140 160 180 200 220 240
748 Adams: Essential Oil Components by GC/MS
255
100
173
80 159
60
185
40 41 69 270
55 117 129 143
20 91 199 213
81 109
207 227
234244
40 60 80 100 120 140 160 180 200 220 240 260 280
216
100
80 173
O-Me
60
40 145 201
51 63 89 188
20 74
131 157
40 60 80 100 120 140 160 180 200 220
41 81
100
95 137
HO
80 55 69
60
107 257
123
40 H
69 OH
100 E
80 41
E
60 81
40 95 137
55
20 109 121
149 163 177 191 205 217 231 245 259 274 292
40 80 120 160 200 240 280
41
100
OH
80 55
81 95 137
60 69
40 107 123
257 H
20 148 161 177 190 203 244 272
216 229
40 80 120 160 200 240 280
178
100 147
80
E O-Me
60 41
40 69 O
89 118
20 63
53 77 133 160 171 215
40 60 80 100 120 140 160 180 200 220 240
750 Adams: Essential Oil Components by GC/MS
43
100
H H
80 O
123
60 55 82
69 95 O
40 109
137 235
20 150 191 207
163 177 217
40 60 80 100 120 140 160 180 200 220 240 260
RT: 49.60 AI: 2072 KI: 2072 Isoeugenyl benzyl ether <(Z)->
CAS#: 128839-47-4 MF: C17 H18 O2 FW: 254 MSD LIB#: 1618
CN: benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-, (Z)-
Synonyms: none
Source: Aldrich Chem.
O
91
100 Z
80 163 O
60
107 254
40
65
20 51 77
115 135
178
40 60 80 100 120 140 160 180 200 220 240 260
43
100 55
80 69 83 97
60
40 111
20 125
139 154
168 182 196 209 224 252
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 751
83
100
H
80 MeO
60
O
40 134
55
98 166 232
20 41 107 125
69 91 151 195204
177 189 223 246
40 60 80 100 120 140 160 180 200 220 240 260
272
100 229
80 136
105
60 41
81 91 257
40 55 148
69 117 187
20 159 173
201
215 241
40 60 80 100 120 140 160 180 200 220 240 260 280
43
100 59 HO
189 OH
80
147 161 250
60
77 91
121 177 217
40 107 133
203 235
20 115
60 77 192
103
40 51 65
20 115 238
147 160 178 220
40 60 80 100 120 140 160 180 200 220 240
67
100
81
80 41 55
60 95
40
109
20 123 135 150
164 178 263 294
191 206 220 234
40 80 120 160 200 240 280
57
100
43
80 71
60 85
40
20 99
113 127 141
155 169 183 197 211 225 239 253 267 296
40 80 120 160 200 240 280
Appendix III: Mass Spectra 753
20 51 63 77 105 230
40 60 80 100 120 140 160 180 200 220 240
55 163
100 41 204 288
80 273
81 107 149 190
60 91 121 232
69
40 217 245
135
175
20
255
40 80 120 160 200 240 280
74
100
80
87
60 43
40 55
20 143
97 129 199 255 298
157 171 185 213 227 241 267
40 80 120 160 200 240 280
754 Adams: Essential Oil Components by GC/MS
RT: 51.24 AI: 2125 KI: 2125 Isoeugenyl benzyl ether <(E)->
CAS#: 92666-21-2 MF: C17 H18 O2 FW: 254 MSD LIB#: 1617
CN: benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-, (E)-
Synonyms: none
Source: Aldrich Chem.
O
91
100
163 E
80 O
60
107 254
40
65
20 51 77
115 135
178
40 60 80 100 120 140 160 180 200 220 240 260
RT: 51.28 AI: 2126 KI: 2126 Phenyl ethyl anthranilate <2->
CAS#: 133-18-6 MF: C15 H15 N O2 FW: 241 MSD LIB#: 1276
CN: benzoic acid, 2-amino-, 2-phenylethyl ester
Synonyms: benzylcarbinyl anthranilate
Source: K & K Chem. ex A. Tucker
137
100
119
80
60
65 92 105 241
40
20 77
51
208 222
40 60 80 100 120 140 160 180 200 220 240
100 55 67 O (CH2)7
Z Z (CH2)4CH3
80 41 79
OH
60
95
40
20 109 280
121 135
149
40 80 120 160 200 240 280
Appendix III: Mass Spectra 755
275
100
80 41 55
60 69 81 95
109 257
40 123 136 179 290
149 166 193 205 221
20 187 229 247
244
100
80 229
41 HO
100
(CH2)7
80 55 Z
(CH2)7CH3
O
60
40 69
81
20 97 264
111 137147 162 221 282
40 80 120 160 200 240 280
756 Adams: Essential Oil Components by GC/MS
134
100
80 43
60
55 69 81 119 HO
40 95 191
109 177
20 148 272 H
163 207216 257 290
226
100
198
80
O
O O
60
40
63 115 175183
20 41 51 75 141 155
91 127 215
40 60 80 100 120 140 160 180 200 220
135
100
80
60
H
40 41
91 148
20 55 105 119 272 H
69 79
161 173 187 201 257
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 757
43
100
80 E
O
E
60
71
40 55 81 93 125 OH
91
100
80
O O
60 41
244
40 105 314
69 81
20 55 112 296
139 153 167 183192201
132 215 229
209 253 271281
40 80 120 160 200 240 280 320
104
100 O
80 E
O
60
40 131
77
20 51 91 147 206
40 60 80 100 120 140 160 180 200 220 240 260
758 Adams: Essential Oil Components by GC/MS
80
41
60
40 92
65
20 55 81
109 275
40 60 80 100 120 140 160 180 200 220 240 260 280
43
100
80
60 O
E
71 E
40
55 81 93 O-Ac
20 107 125135 150
163177189202 219 348
245 288 305
40 80 120 160 200 240 280 320
91 123
100
41 81 107 271
80 55 257 H
60 67 133 286
40 147 161 H
O
20 175 187 201 243
207215 227 264
55
100 43
97
80 83
69
60 111
40
125
20 139
153 167 182 196 308
208 280
40 80 120 160 200 240 280 320
88
100
80
43
60 101
55
40
70
20 157
115 129 143 312
171 185 199 213 227 241 255 269 283
40 80 120 160 200 240 280 320
80 O
60
40 H
55 69 109 237
121 138149 163
O-Ac
20 81 91 219
177 192201 248 279
240
100
80
60 133
197
40
77 105
20 43 51 115 156 171 185
212 225
141149 258
40 60 80 100 120 140 160 180 200 220 240 260
57
100
43
80 71
60 85
40
20 99
113 127
141 155 169 183 197 211 225 239 310
253 267
40 80 120 160 200 240 280 320
41
100 O
H
80 91
O
173
60 H
55 77
40 65
107 121 135 145 246
20 163 190 203 231
218
40 60 80 100 120 140 160 180 200 220 240
Appendix III: Mass Spectra 761
RT: 53.78 AI: 2208 KI: 2208 Totarol <cis->, methyl ether
CAS#: 70905-78-1 MF: C21 H32 O FW: 300 MSD LIB#: 1500
CN: phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-
methylethyl)-, (4aR-cis)-
Synonyms: none
Source: Thujopsis dolabrata, diterpenes, S. Nagahama, Japan
O-Me
285
100
80
60
40 189 215
69 203 241 300 H
41 55 173
20 79 91 105115 128 141
147153
159 227 257
273
40 80 120 160 200 240 280
43
100
80
60
55
40 69 83 97
20 111
125 139
153 167 224 252
40 80 120 160 200 240 280 320
232
100
80 41
120
60 55 69 81 91 272
109 134
40 147 257
217
161 187
20 175 290
201
247
40 80 120 160 200 240 280
762 Adams: Essential Oil Components by GC/MS
219
100
80
234
60
40 204
20 189
101 178
139 152 165
40 60 80 100 120 140 160 180 200 220 240
289
100 43
80 271
55 O O
60 67 206
81 H
137
100
E O
80
60 O NH2
41 119
40
69
20 92
53 81 273
40 60 80 100 120 140 160 180 200 220 240 260 280
Appendix III: Mass Spectra 763
43
100
80
E
60 68
55 81 95
40 123
O-Ac
20 109
137 152165 179 193 208 249263 278
40 80 120 160 200 240 280 320
137 MeO
100
41 81 177
80 55 69 95 O
60 109 305
123
40
191 320
20 149
163 203 223235 251264277
209 271 289 H
43
100
80 81 95 OH
109 177
60 55 69 191
OH
40 121 137
257
149 163 204
20 275 H
221 245 290
229
237
40 80 120 160 200 240 280 320
764 Adams: Essential Oil Components by GC/MS
41 79
100
80 91 121
55 105
60 175
67 134 147
40
161 241 257 316
20 201
187
213 227
221 234 269 287 301
40 80 120 160 200 240 280 320
240
100
80 O-Me
60
165
40
152 209
20 178 194 224
51 6369 76 115 128 139
89 102
40 60 80 100 120 140 160 180 200 220 240
231
100 246
O-Me
80
O O O
60
40
175 188
20 43 53 66 76 87 104 147 160 203
131 215 O-Me
123
100 41 OH
80 55
69 81
95 109
60
OH
40 H
133 151
163 177187 205 220
20 245255 273 288
231
40 80 120 160 200 240 280
RT: 54.63 AI: 2237 KI: 2237 Totarol <trans->, methyl ether
CAS#: 15340-83-7 MF: C21 H32 O FW: 300 MSD LIB#: 1501
CN: phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-
8-(1-methylethyl)-, (4aS,10aS)-
Synonyms: none
Source: Thujopsis dolabrata, diterpenes, S. Nagahama, Japan
O-Me
189 285
100
80
41
60 55 105 215
91 257
40 69 81 300 H
111123135 161 203 229
20 147 173
243 275
121
100 H
80
H
60
Me-O O
40
41 55 91 180
79 105 133 257 271 286
20 67 149 301 316
161173 187199 215227 241
164 O
100
80 O
Z
O
60 91
40
20 65
51 77 103 131 149 282
40 80 120 160 200 240 280
121
100 H
80
H
60 Me-O O
40
91 105 301 316
20 41 55 67 79 133 180 241 257
148159 173 187 288
194
201 213 227
207 273
40 80 120 160 200 240 280 320
Appendix III: Mass Spectra 767
41 79
100
80 91 121
55 105
60 175
67 134 147
40
161 241 257 316
20 201
187
213 227
221 234 269 287 301
40 80 120 160 200 240 280 320
69
100 41
80 55
109
60 81 95
257
100
80 H
60
41 55 91 H
40 81 107 121 135 OH
67 147 161
20 175 187 201 273 288
215227 241
40 80 120 160 200 240 280
768 Adams: Essential Oil Components by GC/MS
269
100 173
80 159
284
60 185
209 241
43 H
40
117 129 141 199 225 251
167
20 55 69 81 91 99 O
43
100
80 O
60 O
E
40 55 69
81 143
20 95 107 123 OH
135 149
175 191 209
167 265 279
40 80 120 160 200 240 280 320
271
100 OH
80
60
40 175
189 201 286
20 41 69 H
55 115 133 145 159 215 229 243
255
40 80 120 160 200 240 280
Appendix III: Mass Spectra 769
E
204
100
80
81 109
60 41
55
40 93 H
69
121 135 161
189
20 148
175 257 272
40 80 120 160 200 240 280
135 HO
100 43
80
60 HO
55 93 107 H
40 71 81
121 255
20 152161 175187
202 273
215227 241 288
40 80 120 160 200 240 280
60 91
40
20 65
77 103 131 149 282
40 80 120 160 200 240 280
770 Adams: Essential Oil Components by GC/MS
241 H
100
80 H
60 257 Me-O O
40 41 55 105
79 91 119 187 316
67 133 201
145 159 173
20 213 227 287 301
269
40 80 120 160 200 240 280 320
131 187
100
H
80
60
O
40 243 286
41 91 105 145
20 55 67 79 253 271
117 159 171 197 215225
57
100
43
80 71
60 85
40
20 99
113 127
141 155 169 183 197 324
211 225 239 253 267 281
40 80 120 160 200 240 280 320
Appendix III: Mass Spectra 771
41
100
55 91 109
80 79
119 257
60 67
133
40
145 161 288
20 175 187 201 273
213 227 241
286
100 41
80
91 105
60 55
81 136
243
40 67 119 145 157
20 173 187 201 271
229
215 253
40 80 120 160 200 240 280
772 Adams: Essential Oil Components by GC/MS
187 H
100
80 H
131 O
60
40 286
91 105 145 243 255
20 41 55
67 79 117
123 159 171 197 215225 271
175 271
100
80
60 41 201
69 189
40 286
55
159
20 115 133 145
83 91 105 215 229 243
255
40 80 120 160 200 240 280
273
100
80
60
40 148 288 H
91 105 133
20 41 55 117 161 173 185 255
67 81 199 215227
243
OH
271
100 286
189
80 175
60 201
40
69 149
41 159 215 229
20 55 115 133
83 91 243 255
O O-Me
774 Adams: Essential Oil Components by GC/MS
HO
H
239
100
80
60 H
40 Me-O O
20 299 314
43 128 141 155 173185197 211 225 255
40 80 120 160 200 240 280 320
288
100
80 227
60 43 105 136
91
40 55 81
20 67 117 145 157 245255 273
173 185 199
213 239
40 80 120 160 200 240 280
Appendix III: Mass Spectra 775
149
100 Me-O
O
80
358
60 OH
O-Me
164
40
20 43 91 122 137
6777 105 179 194 343
157 172 221 241255 273285 300 315
40 80 120 160 200 240 280 320 360
43
100
80
60
40 135
55 71 81 93 107
20 119 255
147159 175187201213227241 270 288302315 330
40 80 120 160 200 240 280 320 360
20 43 259
69 122 189
53 129 149 161 177 205 243
40 60 80 100 120 140 160 180 200 220 240 260 280
776 Adams: Essential Oil Components by GC/MS
43
100
55 81 95 OH
80
60 71 107 121
40 257
133 147 161 175 189
153
20 201 220 245 273
H
229 288
OH
40 80 120 160 200 240 280
286
100
80 43
60 271
40 69 175 189
55 147 201 328
20 159
77 91 115128 215 229 243
255 313
40 80 120 160 200 240 280 320
253
100
271
80 173
159 H
60
40 185 286
117 131141 211
20 43 55
OH
271
100 286
189
80 175
60 201
40 149
41 69
20 159 215 229
55 115 133
83 91 243 255
43 69
100
O
80 55
101 124 144
60 109
81
95 HO
40
177
137 185
20 153164
171 191203 305 320 H
217
211 235 251 267
223 280291 338
40 80 120 160 200 240 280 320
778 Adams: Essential Oil Components by GC/MS
256
100
80 316
241 H
60
121 213
91 105
H
40 41 136 185
55 79 143 157 Me-O O
20 67 273
171 199 301
223
40 80 120 160 200 240 280 320
Z
E
O O-Me
Z
E
O O-Me
Appendix III: Mass Spectra 779
Me-O
O
OH
O-Me
288
100
80
60 105 133
185 255
91 199
40 41 123 227 241
55 145
20 67 79 117 157 171 213 273
271
100
80 43
60 175 286
40
189201
55 69 328
20 145 159
77 91 105115 128 215 229 243255 313
40 80 120 160 200 240 280 320
215
100 300 O
HO
80
60
229
40
41 199
55 157
20 115 128 141 173 187
165 257267 285
69778391 243 H
Me-O O
782 Adams: Essential Oil Components by GC/MS
OH
H
285
100
300
80
243
60 215
40 41 131
173 257
69 201 H
H H
OH
Appendix III: Mass Spectra 783
254
100
80 314
60 H
239
40 121
91 134 H
41 185
20 55 79 105 143155 173 197 Me-O O
67 211 299
225 282
40 80 120 160 200 240 280 320
285
100
80
O
60 H
243 300
40
20 43 55 175187 201
115125 145 159
165 215 229 257267
40 80 120 160 200 240 280
784 Adams: Essential Oil Components by GC/MS
300 OH
100
80 243
285
60
40 43 199
125 187 O
20 55 141 159
115 131 173 215 229
H
67 79 91 107 255
40 80 120 160 200 240 280
283 OH
100
80 298
60
241
40
41 187
20 69 115 128 141 159
171 199 213 229 255
O
53 77 91 147 165 H
267
40 80 120 160 200 240 280
(CH2)24
H3 C CH3
285 OH
100
80 300
60
40 203 217
243
41 O
20 55 69 163173 189
91 115 128 145 229 257 272
H
(CH2)25
H3C CH3
786 Adams: Essential Oil Components by GC/MS
OH
(CH2)26
H3C CH3
(CH2)27
H3 C CH3
Appendix III: Mass Spectra 787
(CH2)28
H3C CH3
(CH2)29
H3C CH3
57
100
(CH2)30
43
80 H3 C CH3
60 71
40 85
20 97 207
113127141
155169
183
177191
197 253267283 355
40 80 120 160 200 240 280 320 360 400 440
788 Adams: Essential Oil Components by GC/MS
(CH2)31
H3C CH3
(CH2)32
H3C CH3
Appendix IV: Cross Index of Common Names 789
Appendix IV
capric acid, ethyl ester; see Ethyl decanoate 24.40 cedrene, 1,7-di-epi-β-; see Funebrene <2-epi-β-> 25.11
capric acid; see Decanoic acid 23.02 cedrene, di-epi-α-, 1,7-; see Funebrene, <α-> 24.71
caprinic acid; see Decanoic acid 23.02 cedrene, di-epi-β-, 1,7-; see Funebrene <β-> 25.19
caprinic aldehyde; see Decanal <n-> 15.83 cedrenol acetate; see Cedr-8(15)-en-9-α-ol, acetate
caproaldehyde dimethyl acetal; see Hexanal, dimethyl 38.26
acetal 7.01 cedrenol; see Cedr-8(15)-en-9-α-ol 34.83
caproaldehyde; see Hexanal 3.19 cedrol acetate; see Cedryl acetate 39.21
caproic acid, 5-methyl-; see Hexanoic acid <5-methyl-> celestolide; see Crysolide 37.56
9.03 cellusolve acetate; see Ethoxy ethyl acetate <2-> 5.03
caproic acid, β-hydroxy-, ethyl ester; see Ethyl 3- cellusolve; see Ethoxy ethanol <2-> 2.33
hydroxy hexanoate 12.40 cephrol; see Citronellol 16.80
caproic acid; see Hexanoic acid 6.84 cerulignol; see Eugenol <dihydro-> 23.15
caprolactone, γ-; see Hexalacatone <γ-> 9.33 cetane; see Hexadecane <n-> 32.89
caproleic acid; see Decenoic acid <9-> 22.80 cetanol, cetyl alcohol; see Hexadecanol 43.03
capryl alcohol; see Octanol <2-> 7.60 cetene; see Hexadecene <1-> 32.44
caprylaldehyde; see Octanal <n-> 7.72 cetone, α-; see Ionone <isomethyl-α-(E)-> 27.92
caprylene; see Octene <1-> 3.06 cetyl acetate; see Hexadecyl acetate 47.45
caprylic acid; see Octanoic acid 14.37 cevadic acid; see Tiglic acid 5.20
caprylic alcohol; see Octanol <n-> 10.11 champaca camphor; see Guaiol 32.92
caprylyl acetate; see Octanol acetate 16.30 champacol; see Guaiol 32.92
carbomethoxyaniline, 2-; see Anthranilate <ethyl-> chartabomone; see Isotorquatone <demethyl-> 41.96
21.72 chavicol methyl ether; see Methyl chavicol 15.57
carboxystyrene, trans-β-; see Cinnamic acid <(E)-> cholestil; see Coumarin <7-hydroxy-4-methyl-> 46.69
26.80 chromanone, 2-; see Coumarin <3,4-dihydro-> 23.66
carcacryl acetate; see Carvacrol acetate 23.32 cimmamal; see Cinnamaldehyde <(Z)-> 16.53
carota-1,4-diene; see Dauca-5,8-diene 27.60 cimmamein; see Benzyl cinnamate 50.22
carpic alcohol; see Hexanoic acid <5-methyl-> 9.03 cinene; see Limonene 8.69
carvacryl ethyl ether; see Carvacrol, ethyl ether 20.10 cinnamic acid cis-, methyl ester; see Methyl cinnamate
carvomenthane; see Menthan-2-one <cis-ρ-> 15.55 <(Z)-> 20.18
carvomenthane; see Menthan-2-one <trans-ρ-> 15.75 cinnamic acid trans-, benzyl ester; see Benzyl cinnamate
carvomenthenol, 4-; see Terpinen-4-ol 14.66 50.22
carvomenthenone, 3-; see Piperitone 17.95 cinnamic acid, isobutyl ester; see Isobutyl cinnamate
caryophylladienol I; see Caryophylla-4(12),8(13)-dien- 33.80
5-β-ol 34.40 cinnamic acid, trans-, methyl ester; see Methyl cinnamate
caryophyllene epoxide β-; see Caryophyllene oxide <(E)-> 23.58
32.16 cinnamyl acetate trans-; see Cinnamyl acetate <(E)->
caryophyllene β-; see Caryophyllene <(E)-> 25.36 26.46
caryophyllene, iso-; see Caryophyllene <(Z)-> 24.95 cinnamyl acetate, cis-; see Cinnamyl acetate <(Z)->
caryophyllene, α-; see Humulene <α-> 26.82 24.10
caryophyllene, β-; see Caryophyllene <(E)-> 25.36 cinnamyl alcohol, cis-; see Cinnamyl alcohol <(Z)->
caryphylladienol II; see Caryophylla-4(12),8(13)-dien- 18.38
5-α-ol 34.40 cinnamyl alcohol, trans-; see Cinnamyl alcohol <(E)->
cedr-8(15)-en-9-one; see Cedren-9-one <β-> 34.05 20.36
cedr-8(15)-ene; see Cedrene <β-> 25.42 citral a; see Geranial 18.62
cedr-8-ene; see Cedrene <α-> 25.06 citral b; see Neral 17.32
cedran-8-ol, 8-β-; see Cedrol 32.91 citral, E-; see Geranial 18.62
cedran-8-ol, acetate, 8-β-; see Cedryl acetate 39.21 citral, Z-; see Neral 17.32
cedran-8-ol; see Cedrol <epi-> 33.59 citronellol butanoate; see Citronellyl butanoate 30.05
cedran-9-one, 8-β-; see Cedranone <5-> 34.00 citronellol isobutyrate; see Citronellol isobutanoate
cedran-9-α-ol, 8-β-; see Cedranol <5-neo-> 36.14 28.07
cedran-9-α-ol; see Cedranol <5-iso-> 35.68 citronellyl butyrate; see Citronellyl butanoate 30.05
cedrane, 8,9-epoxide, 8.xi.-; see Cedrene epoxide <α-> citronellyl propionate; see Citronellyl propanoate 26.47
31.84 citronellyl valerate; see Citronellyl pentanoate 33.82
cedrane, 8-α-; see Cedrane <epi-> 26.62 clorius; see Methyl benzoate 11.07
cedrane, 8-β-; see Cedrane 26.37 coerulignol; see Eugenol <dihydro-> 23.15
cedrelanol; see Cadinol <epi-α-> 34.38 coniferaldehyde; see Cinnamaldhyde <4-hydroxy-3-
cedren-4-one, α-; see Biotone <β-> 33.18 methoxy-> 37.78
Appendix IV: Cross Index of Common Names 793
coniferyl alcohol, cis-; see Coniferyl alcohol <(Z)-> cyclotrylideneacetone, α-; see Ionone <(E)-α-> 25.81
35.48 cymen-3-ol, p-; see Thymol 19.71
coniferyl alcohol, trans-; see Coniferyl alcohol <(E)-> cymol, p-; see Cymene <ρ-> 8.53
37.98 cyperenone; see Cyperotundone 36.56
copaen-11-ol, 2-; see Copaen-11-ol <α-> 30.43
cortonaldehyde<3-methyl->; see Methyl-2-butenal <3-> D
2.97 damascenone, trans-β-; see Damascenone <(E)-β->
cortonic acid, 2-methyl-, ethyl ester, (E)-; see Ethyl 23.87
tiglate 5.78 dauca-8,11-diene; see Isodaucene 28.83
coumarinol, 4-; see Coumarin <4-hydroxy-> 40.22 davanone, cis-hydroxy-; see Davanone-2-ol <β-> 37.41
crategine; see Anis aldehyde <ρ-> davanone, trans-; see Davanone B 31.46
creosol; 4-methylguaicol; see Cresol <2-methoxy-ρ-> decadienal, 2-trans, 4-trans-; see Decadienal <(2E,4E)->
15.27 20.87
cresatin; see Cresol acetate <meta-> 14.00 decadienal, 2-trans,4-cis-; see Decadienal <(2E,4Z)->
cresol, 5-(1,5-dimethyl-4-hexenyl), o-; see 19.86
Xanthorrhizol 38.64 decalin, cis-; see Naphthalene <cis-decahydro-> 11.46
cresol, α-phenyl-, o-; see Hydroxydiphenyl methane decalin, trans-; see Naphthalene <trans-decahydro->
<2-> 35.75 9.77
cresyl caprylate, p-; see Cresol octanoate <ρ-> 39.56 decamethylene glycol; see Decanediol <1,10-> 30.75
cresyl phenylacetate , m-; see Benzeneacetic acid, 3- decamethylenediol; see Decanediol <1,10-> 30.75
methylphenyl ester 41.37 decanal, trans-4-; see Decenal <4E-> 15.60
crotonaldehyde, 2-methyl-,(E)-; see Tiglic aldehyde 2.58 decanol acetate; see Decyl acetate 24.94
crotonic acid, 2-methyl-, hexyl ester (E)-; see Hexyl decanolide γ-; see Decalactone <γ-> 27.35
tiglate 21.54 decanolide, 4-; see Decalactone <γ-> 27.35
crotonic acid, 2-methyl,methyl ester; see Methyl tiglate decanolide, 5-; see Decalactone <δ-> 28.55
4.28 decanyl acetate; see Decyl acetate 24.94
crotonic acid, cis-2-methyl-2-butenoate; see Isobutyl decenal, cis-4-; see Decenal <4Z-> 15.48
angelate 9.45 decenal, trans-2-; see Decenal <2E-> 18.44
crotonic acid, hexyl ester, hexyl crotonate; see Hexyl decenol, cis-4-; see Decen-1-ol <4Z-> 18.24
(2E)-butanoate 17.49 decenol, trans-2-; see Decen-1-ol <2E-> 18.80
crotonic acid, trans-2-methyl-; see Tiglic acid 5.20 decenol, trans-4-; see Decen-1-ol <4E-> 18.38
crotonic acid <3-methyl->; see Butenoic acid, 3- decenyl acetate, trans-2-; see Decenyl acetate <2E->
methyl-2- 4.60 24.96
cubeb camphor; see Cubebol 29.41 decyl alcohol, sec-; see Decanol <2-> 15.72
cubebol, 4-epi-; see Cubebol <epi-> 28.55 decyl alcohol; see Decanol <n-> 18.73
cumin alcohol; see Cymen-7-ol <ρ-> 19.74 decyl propionate; see Decyl propanoate 28.89
cuminol acetate; see Cymen-7-ol acetate <ρ-> 25.51 decylenic alcohol; see Dec-9-en-1-ol 18.57
cuminol; see Cymen-7-ol <ρ-> 19.74 dehydroabietinal; see Abietal, dehydro 55.74
cuminyl acetate; see Cymen-7-ol acetate <ρ-> 25.51 dehydroabietyl alcohol; see Abietol, dehydro 58.42
cumol; see Cumene 5.63 dehydrodeoxybaimuxinol; see Agarofuran <α-> 30.79
cuprenene 4; see Cuprenene <γ-> 30.14 dehydro-p-cymene; see Cymenene <ρ-> 11.09
cuteazul; see Guaiazulene 39.66 delegol T; see Hydroxydiphenyl methane <2-> 35.75
cyclalia; see Hydroxy citronellal 19.60 deoxybaimuxinol; see Dihydro agarofuran <β-> 28.95
cyclamal; see Cyclamen aldehyde 27.10 desmethylencecalin; see Eupatoriochromene 38.98
cyclene; see Tricyclene 5.53 dextrocamphroic acid; see Camphoric acid 34.20
cyclogeraniol acetate <α->; see Cyclogeranyl acetate diacetone; see Pentanone <4-hydroxy-4-methyl-2->
<α-> 28.02 3.72
cyclogeraniolene, δ-; see Cyclohexene <3,5,5- diacetylbenzene,p-; see Acetylacetophenone <p-> 26.47
trimethyl-> 2.83 diamyl carbinol; see Undecanol <6-> 19.51
cyclogeraniolene, ε-; see Cyclohexene <3,3,5- diathesin; see Benzenemethanol <2-hydroxy-> 18.22
trimethyl-> 3.04 diathesin; see Benzenemethanol <2-hydroxy-> 18.22
cyclohexadiene, 1,3-; see Phellandrene <α-> 7.85 dicholorobenzene, p-; see Dichlorobenzene <1,4-> 8.18
cyclohexanol formate; see Cyclohexyl formate 6.49 diethoxy-2-hexene, (E)-1,1-; see Hexenal <2E->, Diethyl
cyclohexyl propionate; see Cyclohexyl propanoate acetal 11.42
12.79 diethoxy-2Z-hexene, 1,1-; see Hexenal <2Z->, diethyl
cyclopentanone, 2-geranyl-; see Apritone <E-> 37.04 acetal 10.80
cyclosia; see Hydroxy citronellal 19.60 diethyl butanedioate; see Diethyl succinate 14.76
794 Adams: Essential Oil Components by GC/MS
diethyl ether; see Ethyl ether 1.63 dimethylcyclohexene carboxaldehyde; see Vertocitral C
<cis-> 10.61
dihydro citronellyl acetate; see Dihydro citronellol dimethylcyclohexene carboxaldehyde; see Vertocitral C
acetate 21.04 <trans-> 11.72
dihydro myrcene; see Citronellene <β-> 6.15 dimethylstyrene, α-3-; see Cymenene <meta-> 10.82
dihydro-ar-turmerone; see Turmerone <ar-dihydro-> dimethylstyrene, α-p-; see Cymenene <ρ-> 11.09
32.70 dimethylstyrol; see Dimethyl styrene <2,5-> 11.44
dihydrocallitrisin; see Callistrisin <dihydro-> 46.25 dimethylvinylcarbinyl acetate; see Buten-2-ol acetate
dihydrocarvyl acetate; see Dihydro carveol acetate <2- methyl-3-> 2.88
20.48 dimethylxanthoxylin, 3,O-; see Acetophenone <2,4,6-
dihydrocitral, 2,3-; see Citronellal 13.58 trimethyoxy-3-methyl-> 36.80
dihydroeudesmol; see Eudesmol <dihydro-> 35.25 dimethyoxy-β-methyl styrene, (Z)-3,4-; see Methyl
dihydroeugenol acetate; see Eugenol acetate <dihydro-> isoeugenol <(Z)-> 26.78
30.30 dimetylethylene glycol; see Butanediol <2,3-> 3.03
dihydro-ionone , α, β-; see Ionone <dihydro-β-> 26.08 dipentene; see Limonene 8.69
dihydro-ionone, 7,8-; see Ionone <dihydro-β-> 26.08 diphenyl ketone; see Benzophenone 33.92
dihydrojasmin lactone; see Decalactone <δ-> 28.55 diphenyl; see Biphenyl 23.51
dihydrotagetone; see Tagetone <dihydro-> 9.51 dipropyl sulfide; see Disulfide, dipropyl 11.60
dihydrotoluene, 2,3-; see Cyclohexadiene <1-methyl- dipropylcarbinol; see Heptanol <4-> 4.68
1,3-> 3.77 dodecanal, trans-2-; see Dodecenal <(E)-2-> 27.33
dihydrotoluene, 3,4-; see Cyclohexadiene <2-methyl- dodecanoic acid, butyl ester; see Butyl decanoate 39.86
1,3-> 3.63 dodecanolide, 4-; see Dodecalactone <γ-> 35.85
dihydrotoluene <2,5->; see Methyl-1,4-cyclohexadiene dodecanolide, 5-; see Dodecalactone <δ-> 36.91
3.25 dodecanone, 2-; see Methyl decyl ketone 24.09
dihydroxydecane, 1,10-; see Decanediol <1,10-> 30.75 dodecyl alcohol; see Dodecanol <n-> 27.52
dihydroxytoluene, 2,3-; see Catechol <3-methyl-> 18.20 dragosantol; see Bisabolol <α-> 36.17
diisopropyl ketone; see Dimethyl-3-pentanone <2,4-> drim-7-en-11-ol; see Drimenol 39.16
3.06 drim-7-ene-11,12-dial; see Polygodial 47.85
diktaminin; see Dictamine 44.97 drim-8-en-7-one; see Drimenone 40.12
dimethoxy geraniol; see Citral <dimethoxy-(E)-> 21.90
dimethoxy nerol; see Citral <dimethoxy-(Z)-> 20.93 E
dimethoxyphenylmethane; see Benzaldehyde, dimethyl elleryone; see Zierone 31.86
acetal 11.90 elsholtzione, dehydro-; see Elsholtzia ketone <dehydro>
dimethoxypsoralen ,5,8-; see Isopimpinellin 54.63 20.29
dimethoyx-6,7-furanocoumarin, 5,8-; see Isopimpinellin elsholtzione; see Elsholtzia ketone 15.86
54.63 enanthaldehyde; see Heptanal 4.98
dimethulene; see Chamazulene 37.87 enanthic alcohol; see Heptanol <n-> 6.63
dimethyl acetal decanal; see Decane <1,1-dimethoxy-> enanthole; see Heptanal 4.98
23.52 eperuic acid, methyl ester; see Methyl eperuate 54.15
dimethyl salicylate; see Methyl ο-anisate 21.72 epiabetinal, 4-; see Abietal <4-epi-> 56.44
dimethyl-2,8-octanediol, 2,6-; see Hydroxy citronellol epicyclocolorenone; see Cyclocolorenone <epi-> 39.48
22.83 epijunicedran-8-one, 6-; see Junicedranone 35.38
dimethyl-2-butenolide, 4,4-; see Methyl pent-2-enolide epizizanone2-; see Zizanone <epi-> 35.54
<4-> 6.21 epizonarene, ent-10-; see Epizonarene 28.88
dimethyl-6-octenal, 3,7-; see Citronellal 13.58 epoxycaryopyllene; see Caryophyllene oxide 32.16
dimethyl-6-octenyl ester, 3,7-; see Citronellyl angelate epoxycedrene , α-; see Cedrene epoxide <α-> 31.84
35.06 epoxyisodihydrocarvone, 1,6-; see Carvone oxide
dimethylallyl acetate(1,1); see Buten-2-ol acetate <2- <trans-> 19.02
methyl-3-> 2.88 epoxymurrolane, 4,10-; see Amorphane <trans-4,10-
dimethylallyl acetate; see Buten-1-ol, 3-methyl-2-, epoxy-> 27.91
acetate 5.35 epoxy-muurolane, 4,10-; see Amorphane <cis-4,10-
dimethylallyl alcohol; see Buten-1-ol <3-methyl-2-> epoxy-> 28.05
2.85 epoxy-ocimene <cis->; see Epoxy-ocimene <Z-> 12.72
dimethylbenzenamine, 2,6-; see Dimethyl aniline <2,6-> epoxy-ocimene <trans->; see Epoxy-ocimene <E-> 13.10
14.21 epoxy-p-menthane, 1,8-; see Cineole <1,8->
dimethylbenzylcarbinol acetate; see Dimethyl phenethyl eremophila-1(10),11-dien-9-onetone; see Eremophilone
acetate <α, α-> 21.04 38.02
Appendix IV: Cross Index of Common Names 795
hexenol, trans-3-; see Hexenol <(3E)-> 3.96 hydronootkatinol; see Nootkatinol 50.10
hexenyl acetate, cis-3-; see Hexenyl acetate <3Z-> 7.93 hydroquinone dimethyl ether; see Dimethoxybenzene
hexenyl angelate, cis-; see Hexenyl angelate <3Z-> <1,4-> 14.12
19.10 hydroxy-3-ethoxybenzaldehyde, 4-; see Vanillin <ethyl-
hexenyl benzoate, cis-3-; see Hexenyl benzoate <3Z-> > 26.83
31.48 hydroxyanisole , o-; see Guaiacol <ο-> 11.00
hydroxybenzyl alcohol, 3-; see Benzenemethanol(3-
hexenyl benzoate, trans-2-; see Hexenyl benzoate <(2E- hydroxy-> 21.92
> 32.37 hydroxycamphene, 6-; see Camphenol <6-> 11.98
hexenyl butyrate, cis-; see Hexenyl butanoate <3Z-> hydroxycaryophyllene,13-; see Caryophyllene <14-
15.09 hydroxy-(Z)-> 35.45
hexenyl butyrate, trans-2-; see Hexenyl butanoate hydroxydecane, 3-; see Decanol <3-> 15.60
<(E)-2-> 15.48 hydroxygermacra-1(10),5-diene <4β->; see Germacrene
hexenyl caproate, cis-3-; see Hexenyl hexanoate <3Z-> D-4-ol 31.85
23.65 hydroxyindane, 5-; see Indanol <5-> 21.90
hexenyl formate, cis-3-; see Hexenyl formate <3Z-> hydroxyiresane, δ-7(8)-15-; see Drimenol 39.16
5.32 hydroxy-p-cresol, α-; see Benzenemethanol <4-
hexenyl formate, trans-2-; see Hexenyl formate <2E-> hydroxy-> 21.76
5.46 hydroxy-p-cymene, 8-; see Cymen-8-ol <ρ-> 14.91
hexenyl isobutyrate <3Z->; see Hexenyl isobutanoate hydroxysandaracopimar-15-ene, 8-β-; see Nezukol 51.47
<3Z-> 13.30 hydroxysesquicineole,(12Z-); see Sesquicineole <12-
hexenyl isopentanoate, cis-3-; see Hexenyl hydroxy-(Z)-> 39.16
isovalerate <2Z-> 17.60 hydroxytoluene, α-; see Benzyl alcohol 8.77
hexenyl isopentanoate <2Z->; see Hexenyl hydroxy-α-terpineol, trans-6-; see Menth-6-en-2,8-diol
isovalerate <2Z-> 17.60 <trans-p-> 23.37
hexenyl phenylacetate, cis-3-; see Hexenyl phenyl hymecromone; see Coumarin <7-hydroxy-4-methyl->
acetate <3Z-> 34.16 46.69
hexenyl propionate, cis-3-; see Hexenyl propionate hypnone; see Acetophenone 9.99
<3Z-> 11.30
hexenyl salicylate, cis-3-; see Hexenyl salicylate <3Z-> I
35.51 imecromone; see Coumarin <7-hydroxy-4-methyl->
hexenyl tiglate <cis-3->; see Hexenyl tiglate <3Z-> 46.69
21.07 ionol; see Butylated hydroxytoluene 29.43
hexenyl tiglate <trans-3->; see Hexenyl tiglate <3E-> ionone, trans-α-; see Ionone <(E)-α-> 25.81
20.88 ionone, trans-β-; see Ionone <β-(E)-> 28.30
hexon, see Methyl-2-pentanone <4-> 2.50 irone , α-; see Ionone <6-methyl-α-> 29.66
hexyl 3-methyl butanoate; see Hexyl isovalerate 17.59 irone, γ-; see Ionone <methyl-γ-> 28.00
hexyl alcohol, sec-; see Hexanol <2-> 3.14 isoacetophorone; see Isophorone 12.27
hexyl butyrate; see Hexyl butanoate 15.40 isoamy propionate, see Isoamyl propionate 6.64
hexyl caproate; see Hexyl hexanoate 23.83 isoamyl 2-methyl butanoate; see Isopentyl 2-methyl
hexyl caprylate; see Hexyl octanoate 32.12 butanoate 11.49
hexyl isobutyrate; see Hexyl isobutanoate 13.50 isoamyl acetate; see Isopentyl acetate 4.40
hexyl isopentanoate; see Hexyl isovalerate 17.59 isoamyl alcohol, sec-; see Methyl-2-butanol <3-> 2.10
hexyl salicylate; see Salicylic acid, hexyl ester 35.75 isoamyl alcohol; see Isopentyl alcohol 2.53
hexyl-4-butanolide, 4-; see Decalactone <γ-> 27.35 isoamyl caproate; see Isoamyl hexanoate 17.83
hexylbutyrolactone γ-; see Decalactone <γ-> 27.35 isoamyl caprylate; see Isoamyl octanoate 26.42
hexyl-cinnamaldehdye, trans, 2-; see Cinnamaldehyde isoamyl formate; see Isopentyl formate 3.06
<2-hexyl-(E)-> 38.51 isoamyl furylpropionate; see Isoamyl 3-(2-furan)
hexylvalerolactone, δ-; see Undecalactone <δ-> 32.62 propionate 25.88
hinokienol, α-; see Muurol-5-en-4-α-ol <cis-> 31.24 isoamyl isovalerate; see Isopentyl isovalerate 11.60
hinokiic acid; see Thujopsenic acid <cis-> 42.65 isoamyl laurate; see Isoamyl dodecanoate 41.97
humulene 1,2-epoxide; see Humulene epoxide II 33.20 isoamyl methanoate; see Isopentyl formate 3.06
hyderiol; see Heyderiol 59.05 isoamyl n-butyrate; see Isopentyl butanoate 9.72
hydrangine; see Coumarin <7-hydroxy-> 41.69 isoamyl salicylate; see Isopentyl salicylate 30.25
hydrocinnamic alcohol; see Hydrocinnamyl alcohol isoamyl trans-cinnamate; see Isoamyl cinnamate <(E)->
16.87 38.21
hydrocyclopentane; see Cyclopentanol 3.04 isoborneol acetate; see Isobornyl acetate 19.48
798 Adams: Essential Oil Components by GC/MS
isoborneol propionate; see Isobornyl propanoate 23.88 isomethyleugenol, cis-; see Methyl isoeugenol <(Z)->
isobornyl 2-methyl butyrate; see Isobornyl 2-methyl 26.78
butanoate 29.76 isomethyl-α-ionone; see Ionone <isomethyl-α-(E)->
isobornyl butyrate; see Isobornyl n-butanoate 27.72 isomyristicin, trans-; see Isomyristicin 33.52
isobornyl isobutyrate <5-hydroxy->; see Isobornyl isoneral; see Isocitral <Z-> 14.06
isobutanoate <5-hydroxy-> 35.08 isopatchoulenone; see Cyperotundone 36.56
isobornyl isobutyrate <5-oxy->; see Isobornyl isopentanal; see Isovaleraldehyde 2.04
isobutanoate <5-oxy-> 33.04 isopentenylcoumarin, 7-methoxy-8-; see Octalactone
<γ-> 18.02
isobornyl isobutyrate <6-hydroxy->; see Isobornyl isopentyl 2-methyl butyrate; see Isopentyl 2-methyl
isobutanoate <6-hydroxy-> 34.56 butanoate 11.49
isobornyl isobutyrate <8-hydroxy->; see Isobornyl isopentyl acetoacetate; see Isoamyl acetoacetate 14.72
isobutanoate <8-hydroxy-> 35.75 isopentyl alcohol, 3-; see Buten-1-ol <3-methyl-3-> 2.45
isobornyl isobutyrate <8-isobutyryloxy->; see Isobornyl isopentyl benzoate; see Isoamyl benzoate 26.03
isobutanoate <8-isobutyryloxy-> 43.56 isopentyl benzyl ether; see Isoamyl benzyl ether 20.64
isobutenylcarbinol; see Buten-1-ol <3-methyl-3-> 2.45 isopentyl butyrate; see Isopentyl butanoate 9.72
isobutyl alcohol; see Isobutanol 2.00 isopentyl dodecanoate; see Isoamyl dodecanoate 41.97
isobutyl caproate; see Isobutyl hexanoate 13.62 isopentyl ethanoate; see Isopentyl acetate 4.40
isobutyl crotonate; see Isobutyl(2E)-butenoate 7.62 isopentyl geranate; see Isoamyl geranate 34.85
isobutyl ethanoate; see Isobutyl acetate 2.81 isopentyl hexenoate; see Isoamyl hexanoate 17.83
isobutyl methanoate; see Isobutyl formate 2.14 isopentyl isobutyrate; see Isoamyl isobutyrate 8.05
isobutyl o-hydroyxbenzoate; see Isobutyl salicylate isopentyl laurate; see Isoamyl dodecanoate 41.97
25.59 isopentyl methanoate; see Isopentyl formate 3.06
isobutyl propyl ketone; see Heptanone <2-methyl-4-> isopentyl nerolate; see Isoamyl nerolate 33.00
5.46 isopentyl nonanoate; see Isoamyl nonanoate 30.59
isobutyl-3-methoxypyrazine, 2-; see Pyrazine <2- isopentyl propanoate; see Isoamyl propionate 6.64
methoxy-3-(2-methylpropyl-)-> 14.91 isopenyl octanoate; see Isoamyl octanoate 26.42
isobutylmethylcarbinol; see Pentanol <4-methyl-2-> isopimara-7,15-dien-18-ol; see Isopimarol 56.77
2.66 isopimaradien-18-ol, 8(14),15-; see Sandaracopimarinol
isobutylthiazole,2-; see Thiazole <2-isobutyl-> 8.89 55.58
isobutylα-toluate; see Isobutyl phenylacetate 24.01 isopimarinol; see Isopimarol 56.77
isobutyric acid, isobutyl ester; see Isobutyl isobutyrate isopimarinol; see Sandaracopimarinol 55.58
5.18 isopinocamphone; see Pinocamphone <cis-> 14.57
isobutyric acid, isopropyl ester; see Isopropyl isopropenyl-2-methylcyclohexanone, 5-; see Dihydro
isobutyrate 3.08 carvone <cis-> 15.41
isobutyrone; see Dimethyl-3-pentanone <2,4-> 3.06 isopropenylangelicin 5'-; see Oroselone 52.08
isocaproic acid; see Pentanoic acid <4-methyl-> 5.89 isopropenyltoluene, 4-; see Cymenene <ρ-> 11.09
isocarveol, trans-; see Mentha-1(7),8-dien-2-ol isopropenyltoluene, m-; see Cymenene <meta-> 10.82
<trans-p-> 15.24 isopropyl acetone, see Methyl-2-pentanone <4-> 2.50
isocaryophyllene; see Caryophyllene <(Z)-> 24.95 isopropyl butyrate; see Isopropyl butanoate 3.81
isocedrenone; see Cedren-9-one <β-> 34.05 isopropyl ketone; see Dimethyl-3-pentanone <2,4-> 3.06
isocedrol, 6-; see Cedrol <epi-> 33.59 isopropyl myristate; see Isopropyl tetradecanoate 41.42
isochinolin; see Isoquinoline 17.97 isopropyl palmitate; see Isopropyl hexadecanoate 48.09
isodextropimaraldehyde; see Sandaracopimarinal 53.06 isopropylbenzene; see Cumene 5.63
isodihydrolavandulyl aldehyde; see Isopropyl-5-methyl- isopropylresorcinol dimethyl ether, 5-; see Benzene <1,3-
(2E)-hexenal <2-> 11.66 dimethoxy-5-(1-methylethyl)-> 24.37
isoelemicin, cis-; see Isoelemicin <(Z)-> 31.62 isopropyltoluene, p-; see Cymene <ρ-> 8.53
isoenanthic acid; see Hexanoic acid <5-methyl-> 9.03 isopropyltropolon, 4-; see Nezukone 26.12
isoeugenol acetate, trans-; see Isoeugenol acetate <(E)-> isoterpinene; see Terpinolene 10.98
33.46 isoterpinolene; see Mentha-2,4(8)-diene <ρ-> 10.94
isoeugenol, cis-; see Isoeugenol <(Z)-> 24.90 isovaleral; see Isovaleraldehyde 2.04
isoeugenol, trans-; see Isoeugenol <(E)-> 26.67 isovaleric acid geranyl ester; see Geranyl isovalerate
isofuranogermacrene; see Curzerene 28.79 33.15
isogermafurene; see Curzerene 28.79 isovaleric acid, 2-methylbutyl ester; see Methyl butyl
isohexyl 2-methylbutyrate; see Butanoic acid, 2-methyl- isovalerate <2-> 11.65
4-methylpentyl ester 15.66 isovaleric acid, 3-hexenyl ester, (Z)-; see Hexenyl 3-
isokaurene; see Kaur-15-ene 47.25 methyl butanoate <3Z-> 17.22
Appendix IV: Cross Index of Common Names 799
mentha-6,8-dien-2-ol, trans, p-; Carveol <trans-> 16.44 methyl phenyl ethyl ether; see Benzene <2-
mentha-6,8-dien-2-one, p-; see Carvone 17.53 methoxyethyl-> 10.76
mentha-6,8-dien-2-one, p-; see Carvone hydrate 25.54 methyl phenylacetate; see Benzene acetic acid, methyl
mentha-6-en-2-one, (S), p-; see Carvotanacetone 17.72 ester 14.73
mentha-8-en-2-one p-, 1,6-epoxy-, (1S,4R,6S)-; see methyl phenylacetonitrile,3-; see Benzeneacetonitrile
Carvone oxide <cis-> 18.42 <3- methoxy-> 23.42
menthadiene; see Phellandrene <α-> 7.85 methyl p-tolyloxy acetate; see Cresyl acetate <methyl->
menthan-2-ol, acetate, p-; see Carvomenthyl acetate 24.76
<neo-iso-> 22.30 methyl trans-2-nonenoate; see Methyl-(2E)-nonenoate
menthane, 1,4-epoxy, p-; see Cineole <1,4-> 8.22 16.73
menthol isovalerate; see Menthyl isovalerate 29.50 methyl undecyl ketone; see Tridecanone <2-> 28.64
methional; see Propanal, 3-methylthio- 4.97 methyl α-toluate; see Benzene acetic acid, methyl ester
methionol; see Propanol, 3-methylthio- 6.90 14.73
methoxy phenyl acetate, 2-; see Guaiacol acetate <ο-> methyl-2-butenyl angelate, 3-; see Prenyl angelate 15.30
18.51 methyl-3-butenyl acetate, 3-; see Buten-1-ol acetate <3-
methoxy-6,7-furanocoumarin, 5-; see Bergaptene 49.10 methyl-3-> 4.59
methoxyangelicin, 5-; see Bergaptene <iso-> 48.39 methyl-4-pentenoic acid, 2-; see Pentenoic acid <2-
methoxyanisole , p-; see Dimethoxybenzene <1,4-> methyl-4-> 5.59
14.12 methyl-5-acetylfuran,2-; see Furan, 2-acetyl-5-methyl-
methoxyanisole, m-; see Benzene <1,3-dimethoxy-> 8.95
14.27 methyl-5-pentyl-3-pentanone, 2-; see Phenyl-4-methyl-
methoxybenzaldehyde, o-; see Anisaldehyde <ο-> 17.50 pentan-3-one <1-> 23.77
methoxycinnamic acid, ρ-; see Methoxy cinnamic methyl-6-oxo-2-heptene, 2-; see Hepten-2-one <6-
acid <4E-> 36.77 methyl-5-> 7.25
methoxycinnamic aldehyde, p-; see Cinnamaldehyde methylamyl angelate, 3-; see Methyl pentyl angelate
(E)- <ρ-methoxy-> 31.38 <3-> 17.96
methoxypsorlen, 5-; see Bergaptene 49.10 methylamyl ketone; see Heptanone <2-> 4.74
methoxytoluene, p-; see Anisole <ρ-methyl-> 8.34 methylanisole, o-; see Cresol methyl ether <ο-> 7.96
methoxy-β-methylstyrene, cis-p-; see Anethole <(Z)-> methylanisole, p-; see Anisole <ρ-methyl-> 8.34
17.96 methylbenzopyrone, 6-; see Coumarin <6-methyl->
methy catechol , o-; see Guaiacol <ο-> 11.00 30.98
methyl 2-aminobenzoate; see Anthranilate <ethyl-> methylbenzyl cyanide, 3-; see Benzeneacetonitrile <3-
21.72 methoxy-> 23.42
methyl 8-hydroxylabdan-15-oate; see Methyl methylbutyl ethyl ketone, 3-; see Heptanone <5-
labdanolate 58.80 methyl-3-> 5.98
methyl caproic acid, 2-; see Hexanoic acid <2-methyl-> methylbutyric acid, 2-; see Butanoic acid <2-methyl->
8.80 3.75
methyl cinnimal, 2-methyl-3-phenylacrolein, α-; see methylcamphenilanol, 3-; see Camphene hydrate 13.43
Cinnamaldehyde <α-methyl-> 21.00 methylcamphenilol, 3-; see Camphene hydrate 13.43
methyl crotonaldehyde, γ-; see Penten-1-al <2E-> 2.65 methyldecanolid, 4-; see Decalactone <γ-methyl-γ->
methyl crotyl alcohol, 3-; see Buten-1-ol <3-methyl-2-> 28.08
2.85 methylene cyclohexene, 3-; see Cyclohexene <3-
methyl cyclohexanoate; see Methyl methylene-> 4.20
cyclohexylcarboxylate 9.84 methylisoeugenol, trans-; see Methyl isoeugenol <(E)->
methyl cyclopentanone; see Cyclopentanedione 28.47
<3-methyl-1,2-> 8.43 methylolphenol, p-; see Benzenemethanol <4-hydroxy->
methyl farnesoate, trans, trans-; see Methyl farnesoate 21.76
<2E,6E-> 39.79 methylophenol, 2-; see Benzenemethanol <2-hydroxy->
methyl gallate trimethyl ether; see Methyl eudesmate 18.22
37.40 methylphenyl acetate, 2-; see Cresol acetate <ο->
methyl hex-5-enolide <4->; see Lavender lactone 9.04 methyl-p-xylene; see Trimethyl benzene <1,2,4-> 8.57
methyl hexyl ketone; see Octanone <2-> 7.45 methylstyrene, trans-p-methoxy-β-; see Anethole <(E)->
methyl isobutyl ketone, see Methyl-2-pentanone <4-> 19.43
2.50 methyltoluene, o-; see Cresol methyl ether <ο-> 7.96
methyl octyl ketone; see Decanone <2-> 15.38 methyl-umbelliferone,4-; see Coumarin <7-hydroxy-4-
methyl palmitate; see Methyl hexadecanoate 44.64 methyl-> 46.69
methyl pentyl ketone; see Heptanone <2-> 4.74 metilamil alcohol; see Pentanol <4-methyl-2-> 2.66
Appendix IV: Cross Index of Common Names 801
MIBK; see Methyl-2-pentanone <4-> 2.50 octadienal, trans, trans-; see Octadienal<2E,4E-> 11.59
MIC, 3-; see Pentanol <4-methyl-2-> 2.66 octanolide, 5-; see Octalactone <δ-> 19.15
miniatone; see Torquatone<demethyl-> 42.75 octanolide-1,4-; see Octalactone<γ-> 18.02
modhephene; see Modheph-2-ene 23.83 octen-2-ol, trans-3-; see Octen-2-ol <3E-> 7.28
moth flakes; see Naphthalene 14.84 octen-2-ol, trans-3-; see Octen-2-ol <3Z-> 7.00
musk T; see Ethylene brassylate 47.82 octenal, trans-2-; see Octen-1-al <2E-> 9.59
muskalactone; see Cyclopentadecanolide 41.56 octenol, cis-3-; see Octen-1-ol, <3Z>- 9.52
muurolol, tau-; see Muurolol <epi-α-> 34.46 octenol, trans-2-; see Octen-1-ol <2E-> 10.03
muzigodial; see Canellal 48.75 octyl acetate; see Octanol acetate 16.30
myristic alcohol; see Tetradecanol <n-> 35.64 octyl acrolein, β-; see Dodecenal <(E)-2-> 27.33
myristyl alcohol; see Tetradecanol <n-> 35.64 octyl-γ-butyrolactone , γ-; see Dodecalactone <γ-> 35.85
myrtenic acid methyl ester; see Methyl myrtenate 19.92 oenanthic ether; see Ethyl heptanoate 11.40
oennathal; see Heptanal 4.98
N origanene; see Thujene <α-> 5.62
naginata ketone; see Elsholtzia ketone <dehydro-> osthol; see Octalactone <γ-> 18.02
20.29 ostol; see Octalactone <γ-> 18.02
naphthol methyl ether, 2-; see Naphthalene<2- oxidocalamenene, 1,11-; see calamenene<10,11-epoxy->
methoxy-> 26.53 28.47
neantine; see Diethyl phthalate (plastizer!) 32.50 oxidohimachalene; see Himachalene epoxide 32.01
neoabietinol; see Abietol <neo-> 61.15 oxoadamantane, 2-; see Adamantanone <2-> 20.64
neoclovene; see Clovene <α-neo-> 26.80 oxoferruginol, 6-; see Ferruginol <6-keto-> 60.84
neocurzerene; see Curzerene 28.79 oxopentadecane, 2-; see Pentadecanone <2-> 36.64
neointermediol; see Intermedeol <neo-> 35.15 oxopholone; see Isophorone <4-keto-> 13.23
neomenthoglycol; see Menthol <8-hydroxy-neo-> 21.44 oxophorone; see Isophorone <4-keto-> 13.23
nerol acetate; see Neryl acetate 22.81 oxyphenalon; see Raspberry ketone 30.67
nerolin; see Naphthalene <2-methoxy-> 26.53
nesol; see Limonene 8.69
nethyl butyrate; see Methyl butanoate 2.43 P
noibe oil; see Methyl benzoate 11.07 paioline; see Apiole 35.87
nojigikuol; see Camphenol <6-> 11.98 palmityl acetate, see Hexadecyl acetate 47.45
nonyl alcohol, sec-; see Nonanol <2-> 11.40 palustrol (Cedrus,Pinus); see Abietadien-18-ol <8,13->
nootkanol; see Nootkatol <epi-> 36.72 57.17
nopinene; see Pinene <β-> 7.04 pandnaol; see Benzene <2-methoxyethyl-> 10.76
nopinenone, 3-; see Pinocarvone 14.07 para-cide; see Dichlorobenzene <1,4-> 8.18
norambreinolide; see Sclareolide 49.40 para-crystals; see Dichlorobenzene <1,4-> 8.18
norbornanol, 1,2,7,7-tetramethyl, 2-; see Methyl para-zene; see Dichlorobenzene <1,4-> 8.18
isoborneol <2-> 14.85 parsley apiole; see Apiole 35.87
norbornanone, 1,3,3-trimethyl, 2-; see Fenchone parsley camphor; see Apiole 35.87
norbornanone, 3,3-dimethyl, 2-; see Camphenilone 10.70 pear oil; see Amyl acetate 5.25
norbourbonan-1-one, 11-; see Bourbonanone- <1-nor-> pear oil; see Isopentyl acetate 4.40
31.32 pelargonaldehyde; see Nonanal <n-> 11.51
nordavanone; see Davanone <nor-> 17.02 pelargonic alcohol; see Nonanol <n-> 14.29
novoscabin; see Benzyl benzoate 38.90 pentadecalactone; see Cyclopentadecanolide 41.56
NSC 5585; see Furfuryl acetate 7.42 pentane, 1-phenyl-; see Pentyl benzene 13.73
nuciferal; see Nuciferal <E-> 37.75 pentanoic acid, 2E-hexenyl ester; see Hexenyl valerate
nuciferol, cis-; see Nuciferol <(Z)-> 37.63 <2E-> 19.64
pentanoic acid, 2Z-hexenyl ester; see Hexenyl valerate
O <2Z-> 19.40
obepin; see Anis aldehyde <ρ-> 17.85 pentanol, sec-; see Pentanol <2-> 2.18
ocimene epoxide, (E)-β-; see Myroxide <(E)-> 13.23 pentyl acetate; see Amyl acetate 5.25
ocimene epoxide, (Z)-β-; see Myroxide <(Z)-> 12.82 pentyl alcohol <2->; see Pentanol <2-> 2.18
ocimene, cis-; see Ocimene <(Z)-β-> 8.96 pentyl butyrate; see Pentyl butanoate 11.08
ocimene, trans-; see Ocimene <(E)-β-> 9.42 pentyl isobutyrate; see Pentyl isobutanoate 9.62
ocimenone, cis-; see Ocimenone <Z-> 16.94 pentyl methyl ketone; see Heptanone <2-> 4.74
ocimenone, trans-; see Ocimenone <E-> 17.32 pentyl vinyl ketone; see Octen-3-one <1-> 6.98
octadien-3-ol <3,7-dimethyl, propionate-1,6->; pentylalyl butyrate; see Octen-3-ol butanoate<1-> 19.32
see Linalyl propanoate 21.73 pentylbenzene; see Benzene <pentyl-> 13.73
802 Adams: Essential Oil Components by GC/MS
styrallyl propionate; see Methyl benzylpropanoate <α-> tonghaosu (Z-); see Spiroether <Z-> 43.19
styralyl alcohol; see Benzene methanol <α-methyl-> tonka bean camphor; see Coumarin 25.97
succinic acid, diethyl ester; see Diethyl succinate 14.76 tonkalide; see Hexalacatone <γ-> 9.33
sunarome O; see Salicylate, 2-ethylhexyl- 40.65 torreyol; see Muurolol <α-> 34.61
syringol acetate; see Phenol acetate <2,6-dimethoxy-> trepan; see Cineole <1,8-> 8.76
syringol; see Phenol <2,6-dimethoxy-> 22.24 trimethyl benzene <1,3,5->; see Mesitylene 7.61
trimethylgallic acid methyl ester; see Methyl eudesmate
T 37.40
tadeonal; see Polygodial 47.85 trimethylnorcamphor, 1,3,3-; see Fenchone 10.88
tagetone, cis-; see Tagetone <Z-> 13.54
tagetone, trans-; see Tagetone <(E)-> 13.19 U
tar camphor; see Naphthalene 14.84 umbelliferone, 4,8-dimethyl-; see Coumarin <7-
terebenthene; see Pinene <β-> 7.04 hydroxy-4,8-dimethyl-> 47.75
terpilene; see Terpinene <α-> 8.30 umbelliferone; see Coumarin <7-hydroxy-> 41.69
terpinen-1-ol3-; see Terpinen-1-ol 12.77 UN 1914; see Butyl propanoate 5.13
terpineol, 4-; see Terpinen-4-ol 14.66 uncineol; see Eudesm-7(11)-en-4-ol 36.74
terrestrol; see Farnesol <2,3-dihydro-> 36.31 undecyl alcohol, sec-; see Undecanol <2-> 20.26
tert-butyl-4-methoxyphenol; see Butylated hydroxy
anisole 28.34 V
tetrahydro geraniol; see Dihydro citronellol 15.55 valeric acid, 2-methyl, methyl ester; see Methyl
tetrahydro geranyl acetate; see Dihydro citronellol pentanoate <2-methyl-> 4.42
acetate 21.04 valeric acid, 2-methyl; see Pentanoic acid <2-methyl->
tetrahydrocarvone; see Menthan-2-one <trans-ρ-> 15.75 5.71
thiapentanal <4->; see Propanal, 3-methylthio- 4.97 valeric acid, 4-methyl-; see Pentanoic acid <4-methyl->
thiazole <2-isopropyl-4-methyl->; see Isopropyl-4- 5.89
methyl thiazole<2-> 8.24 valeric acid, butyl ester; see Butyl pentanoate 11.19
thibetolide; see Cyclopentadecanolide 41.56 valeric acid, cis-3 hexenyl ester; see Hexenyl
thioguaiacol; see Methyoxythiophenol <2-> 16.23 valerate <3Z-> 19.28
thiolactic acid; see Mercaptopropanoic acid <2-> 6.35 vanay; see Triacetin 22.31
thujanol cis-4-; see Sabinene hydrate <trans-> 11.41 veratrole, 4-trans-propenyl; see Methyl isoeugenol
thujanol, trans-, 4-; see Sabinene hydrate <cis-> <(E)-> 28.47
(IPP vs. OH) 10.20 vert de vilette, artifical; see Methyl heptine carbonate
thujenal; see Thuj-3-en-10-al 14.99 15.60
thujene, 4(10)-; see Sabinene 6.91 vetivazulen; see Guaiazulene 39.66
thujic acid, methyl ester; see Methyl thujate 21.02 vinylguaiacol, p-; see Guaiacol<ρ-vinyl-> 20.59
thujone, α-; see Thujone <cis-> 11.56 vinyl-γ-valerolactone, γ-; see Lavender lactone 9.04
thujone, β-; see Thujone <trans-> 12.00
thunbergene; see Cembrene 45.21 W
tigaldehyde; see Tiglic aldehyde 2.58 widdrenal; see Thujopsenal 37.06
tiglic acid citronyllyl ester; see Citronellyl tiglate widdrene; see Thujopsene <cis-> 25.86
35.46 widdrenic acid; see Thujopsenic acid <cis-> 42.65
tiglic acid, allyl ester; see Allyl tiglate 8.57 xanthoxylin; see Phloroacetophenone <2,4-
tiglic acid, benzyl ester; see Benzyl tiglate 28.71 dimethylether-> 35.47
tiglic acid, ethyl ester; see Ethyl tiglate 5.78
tiglic acid, geranyl ester; see Geranyl tiglate 36.59 X
tiglic acid, isopropyl ester; see Isopropyl tiglate 6.93 xylenol, 2,6-; see Dimethyl phenol <2,6-> 11.74
tolunitrile, α-; see Benzeneacetonitrile 12.94 xylidine, 2,6-; see Dimethyl aniline <2,6->
tolyl acetate ,o-; see Cresol acetate <ο-> 12.98 xylidine, o-; see Dimethyl aniline <2,6->
tolyl acetate, 3-; see Cresol acetate <meta-> 14.00 Y
tolyl isobutryate, p-; see Cresyl isobutyrate <ρ-> 20.42 yara yara; see Naphthalene <2-methoxy-> 26.53
tolyl phenylacetate, m-; see Benzeneacetic acid, 3-
methylphenyl ester 41.37 Z
tolyl-2-propanol, 2-(3-; see Cymen-8-ol <meta-> 14.78 zedoary oil; see Cineole <1,8->
tolylpropan-1-ol, 2-p-; see Cymen-9-ol <ρ-> 15.98 zingiberene; see Zingiberene <α-> 28.53
tolylpropene, 2-m-; see Cymenene <meta-> 10.82 ziza-6(13)-en-3-one, 2-epi-; see Zizanone <epi-> 35.54
toncarine; see Coumarin <6-methyl-> 30.98 zizanoic acid; see Vetivenic acid 40.80
tonghaosu (E-); see Spiroether <E-> 43.59 zizanol; see Khusimol 38.26