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CGCMSsolutionDataProject1Rtx 5 MS 2019ulyarti Sampel Minyak - QGD
CGCMSsolutionDataProject1Rtx 5 MS 2019ulyarti Sampel Minyak - QGD
qgd 10/13/2020
Lab.Kimia Organik FMIPA - UGM
Sample Information
Analyzed by : Admin
Sample Name : Ulyarti Sampel Minyak
Sample ID :
Data File : C:\GCMSsolution\Data\Project1\Rtx 5 MS 2019\Ulyarti Sampel Minyak.qgd
Method File : C:\GCMSsolution\Data\Project1\Rtx 5 MS 2019\Atsiri.qgm
Tuning File : C:\GCMSsolution\System\Tune1\juni 30 2020.qgt
2
3,389,79 Minyak.qgd
9
TIC*1.00
5
3
7
6
1
1/1
Library
<< Target >>
Line#:1 R.Time:24.108(Scan#:2270) MassPeaks:157
RawMode:Averaged 24.100-24.117(2269-2271) BasePeak:41.00(1919)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41
105
43
91 119
81 161
28 65 133
148 173 184202220 244 253 269 292 304 318 328 338357 372 387395
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:48032 Library:WILEY229.LIB
SI:83 Formula:C13 H20 CAS:0-00-0 MolWeight:176 RetIndex:0
CompName:2-CARENE, 4-.ALPHA.-ISOPROPENYL-, (+)- $$
100 41 133
93 105
43
119
27
77
65 161
176
147
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:71100 Library:WILEY229.LIB
SI:82 Formula:C15 H24 CAS:56390-01-3 MolWeight:204 RetIndex:0
CompName:CIS,CIS,TRANS-3,3,6,6,9,9-HEXAMETHYL-TETRACYCLO[6.1.0.0(2,4).0(5,7)]NONANE $$ Tetracyclo[6.1.0.02,4.05,7]nonane, 3,3,6,6,9,9-hexamethyl- $$
100 41
43 91
105
119 161
133
27 69 77
147 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:71082 Library:WILEY229.LIB
SI:82 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Cop
100 105 119
41 Me
161 Me
91
55 77
39 i-Pr
65 204
133
145 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:71174 Library:WILEY229.LIB
SI:81 Formula:C15 H24 CAS:39029-41-9 MolWeight:204 RetIndex:0
CompName:.GAMMA.-CADINENE $$
100 41
161 CH2
119
91 105
5577 134
27 204
69 Me
Pr-i
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:16786 Library:NIST62.LIB
SI:80 Formula:C13H20 CAS:0-00-0 MolWeight:176 RetIndex:0
CompName:Megastigma-7(E),9,13-triene
100 91 105
41
27 119
77 161 176
55 67133
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
<< Target >>
Line#:2 R.Time:24.767(Scan#:2349) MassPeaks:87
RawMode:Averaged 24.758-24.775(2348-2350) BasePeak:76.95(238056)
BG Mode:Calc. from Peak Group 1 - Event 1
100 77
39 164
5591 103
65 131
149
121
28
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:38291 Library:WILEY229.LIB
SI:85 Formula:C10 H12 O2 CAS:97-53-0 MolWeight:164 RetIndex:0
CompName:EUGENOL $$
100 164
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:24316 Library:NIST62.LIB
SI:83 Formula:C12H14O3 CAS:93-28-7 MolWeight:206 RetIndex:0
CompName:Phenol, 2-methoxy-4-(2-propenyl)-, acetate $$ Phenol, 4-allyl-2-methoxy-, acetate $$ Aceteugenol $$ Acetyleugenol $$ Eugenol acetate $$ Eugenyl acetate $$ 1,3,4-Eugenol acetate $$ Aceto eugenol
100 164 O
43
O
91
O
77
103 149
65 131
39 121
206
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:38192 Library:WILEY229.LIB
SI:80 Formula:C10 H12 O2 CAS:97-53-0 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-Allylguaiacol $
100 5577
39
103 MeO CH2CH CH2
91 149
131
65
121 HO
38
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:13391 Library:NIST62.LIB
SI:79 Formula:C10H12O2 CAS:97-54-1 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(1-propenyl)- $$ Phenol, 2-methoxy-4-propenyl- $$ Isoeugenol $$ 2-Methoxy-4-(1-propenyl)phenol $$ 2-Methoxy-4-propenylphenol $$ 4-Hydroxy-3-methoxypropenylbenzene
100 164
O
HO
77
91 103 149
55 121 131
39 65
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:5577 Library:NIST12.LIB
SI:79 Formula:C10H12O2 CAS:19784-98-6 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-5-(1-propenyl)-, (E)-
100 164
O
HO
55
77 149
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
<< Target >>
Line#:3 R.Time:24.958(Scan#:2372) MassPeaks:75
RawMode:Averaged 24.950-24.967(2371-2373) BasePeak:41.00(7805)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41
105
119
43
91
77 161
29
69 133 145
189 204
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:71082 Library:WILEY229.LIB
SI:88 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Cop
100 105 119
41 Me
161 Me
91
5577
39 i-Pr
65 204
133
145189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:71189 Library:WILEY229.LIB
SI:86 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.ALPHA.-COPAENE $$
100 105 119
161 Me
Me
91
41
77 i-Pr
43
39 67 133 204
145
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:71172 Library:WILEY229.LIB
SI:86 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.ALPHA.-COPAENE $$
100 105
119
41 161 Me
91 Me
77
3943
i-Pr
65 133 204
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:71083 Library:WILEY229.LIB
SI:85 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Cop
100 105 119 161
93
Me
41 Me
55 81 i-Pr
39
69 204
133
147 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:7690 Library:NIST12.LIB
SI:85 Formula:C15H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:Copaene
100 105 119 161
93
41
55 81
39
69 204
133
147 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
<< Target >>
Line#:4 R.Time:26.325(Scan#:2536) MassPeaks:66
RawMode:Averaged 26.317-26.333(2535-2537) BasePeak:41.00(213013)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41
69 79 91
55 105133
28 120 147 161 175 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:70832 Library:WILEY229.LIB
SI:93 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .b
100 41
CH
Me 2
79 91 Me
53 67
27 105
119
133 Me
147 161 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:70837 Library:WILEY229.LIB
SI:93 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .b
100 41
CH
Me 2
91 Me
39 69 79
53 105 133
120 Me
147 161 189
175
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:70840 Library:WILEY229.LIB
SI:89 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .b
100 41
CH
69
93
Me 2
79
39 Me
55
105133
120 Me
147 161 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:70732 Library:WILEY229.LIB
SI:88 Formula:C15 H24 CAS:18794-84-8 MolWeight:204 RetIndex:0
CompName:.beta.-Farnesene $$ 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)- (CAS) 7,11-DIMETHYL-3-METHYLEN-1,6,10-DODECATRIENE $$ .BETA.-FARNESEN $$ trans-.beta.-Farnesene $$
100 41 69
CH2
Me2C CHCH2CH2CMe CHCH2CH2CCH CH2
93
27 55 79
107 120 133
161
147 204
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:70838 Library:WILEY229.LIB
SI:87 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .b
100 41
69 CH
93 Me 2
55
79 Me
133
27 105 120
147 161 Me
189 204
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
<< Target >>
Line#:5 R.Time:27.158(Scan#:2636) MassPeaks:58
RawMode:Averaged 27.150-27.167(2635-2637) BasePeak:93.00(18206)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
41
67 80
53
121
28 107 147
133161 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:70795 Library:WILEY229.LIB
SI:91 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophyllene
100 41
Me
93
53 67
27 79
Me
105 121 Me
133 147
Me
161 189 204
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:19307 Library:WILEY229.LIB
SI:90 Formula:C10 H16 CAS:502-99-8 MolWeight:136 RetIndex:0
CompName:Trans-Ocimene $$ 1,3,7-Octatriene, 3,7-dimethyl- (CAS) 2,6-Dimethyl-1,5,7-octatriene $$ Ocimene $$ .alpha.-Ocimene $$ 3,7-Dimethyl-1,3,7-octatriene $$
100 93
41
27 H2C CMe CH2CH2CH CMe CH CH2
79
43
67 121
105
136
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:6689 Library:NIST62.LIB
SI:90 Formula:C10H16 CAS:502-99-8 MolWeight:136 RetIndex:0
CompName:1,3,7-Octatriene, 3,7-dimethyl- $$ Ocimene $$ 2,6-Dimethyl-1,5,7-octatriene
100 93
41
27
79
43
67 121
105
136
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:70797 Library:WILEY229.LIB
SI:89 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-Caryophyllene
100 93
Me
41
80 Me
53 Me
67 121
107 147 Me
29 136 161 204
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:19306 Library:WILEY229.LIB
SI:88 Formula:C10 H16 CAS:502-99-8 MolWeight:136 RetIndex:0
CompName:Trans-Ocimene $$ 1,3,7-Octatriene, 3,7-dimethyl- (CAS) 2,6-Dimethyl-1,5,7-octatriene $$ Ocimene $$ .alpha.-Ocimene $$ 3,7-Dimethyl-1,3,7-octatriene $$
100 93
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
<< Target >>
Line#:6 R.Time:28.883(Scan#:2843) MassPeaks:105
RawMode:Averaged 28.875-28.892(2842-2844) BasePeak:41.00(3734)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41
43
91 105 119
159
134
81
28 65 204
143 169 189 229 279286 302 317 331 354 379396
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:71100 Library:WILEY229.LIB
SI:81 Formula:C15 H24 CAS:56390-01-3 MolWeight:204 RetIndex:0
CompName:CIS,CIS,TRANS-3,3,6,6,9,9-HEXAMETHYL-TETRACYCLO[6.1.0.0(2,4).0(5,7)]NONANE $$ Tetracyclo[6.1.0.02,4.05,7]nonane, 3,3,6,6,9,9-hexamethyl- $$
100 41
43 91
105
119 161
133
27 69 77
147 189
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:70958 Library:WILEY229.LIB
SI:78 Formula:C15 H24 CAS:16728-99-7 MolWeight:204 RetIndex:0
CompName:Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)- (CAS) 4,10-DIMETHYL-7-ISOPROPYL-BICYCLO(4.4.0)-1,4-DECADIENE $$ 1,2,3,4,4A,7-HEXAHYDRO-4-ISOPROPY
100 105 119
Me
41
161
91
55
27 Me
69 77 204
133 Pr-i
147
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:71174 Library:WILEY229.LIB
SI:77 Formula:C15 H24 CAS:39029-41-9 MolWeight:204 RetIndex:0
CompName:.GAMMA.-CADINENE $$
100 41
161 CH2
119
91 105
5577 134
27 204
69 Me
Pr-i
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:7708 Library:NIST12.LIB
SI:77 Formula:C15H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
100 161
105 119
134
41 91 204
81
55
39 189
69 147
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:71317 Library:WILEY229.LIB
SI:77 Formula:C15 H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:.DELTA.-CADINENE $$
100 161
105 119
134
41 91 204
81
55
39 189
69 147
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
<< Target >>
Line#:7 R.Time:30.550(Scan#:3043) MassPeaks:69
RawMode:Averaged 30.542-30.558(3042-3044) BasePeak:41.00(8765)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41
43
79
69 91
28 105 121 131
147 161 176
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:1 Entry:84614 Library:WILEY229.LIB
SI:86 Formula:C15 H24 O CAS:0-00-0 MolWeight:220 RetIndex:0
CompName:LONGIPINENEPOXIDE $$
100 41
55
27
67
81 95 107
124 135 149 161 177
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:2 Entry:36340 Library:NIST62.LIB
SI:84 Formula:C18H30O CAS:26537-71-3 MolWeight:262 RetIndex:0
CompName:9,12,15-Octadecatrienal
100 41
67 79
O
55
27
95
108
121 135 206 262
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:3 Entry:118683 Library:WILEY229.LIB
SI:84 Formula:C18 H30 O CAS:26537-71-3 MolWeight:262 RetIndex:0
CompName:9,12,15-Octadecatrienal (CAS)
100 41
67 79
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:4 Entry:38764 Library:WILEY229.LIB
SI:83 Formula:C12 H20 CAS:0-00-0 MolWeight:164 RetIndex:0
CompName:1,3-PENTADIENE, 5-(2,2-DIMETHYLCYCLOPROPYL)-2,4-DIMETHYL-, CIS OR TRANS $$
100 41
93
121
69
79
107
27 55
149
164
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
Hit#:5 Entry:31231 Library:WILEY229.LIB
SI:83 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0
CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 3,7-Dimethyl-1,6-octadien-3-ol $$
100 41 93
71
43 69
27 H2 C CH CMe(OH) CH 2CH 2 CH
CMe 2
121
107 136
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380