Sample Information

Analyzed by : Admin
Analyzed : 18/12/2023 01:07:57 p. m.
Sample Type : Unknown
Level # :1
Sample Name : VIN-23
Sample ID : VIN-23
IS Amount : [1]=1
Sample Amount :1
Dilution Factor :1
Vial # :1
Injection Volume : 2.00
Data File : C:\GCMSsolution\Data\Project1\INDUSTRIALES\VIN-E2.qgd
Org Data File : C:\GCMSsolution\Data\Project1\INDUSTRIALES\VIN-23.qgd
Method File : C:\GCMSsolution\Data\Project1\metodos lucho\METODOS\NUEVO-1min-4vel.qgm
Org Method File : C:\GCMSsolution\Data\Project1\metodos lucho\METODOS\NUEVO-1min-4vel.qgm
Report File : C:\GCMSsolution\Data\Project1\DATOS-FORMATO REPORTES\gipnareport-project1.qgr
Tuning File : C:\GCMSsolution\System\Tune1\tunnig-30-11-2023-70eV.qgt
Modified by : Admin
Modified : 20/12/2023 01:43:13 p. m.

Chromatogram VIN-23 C:\GCMSsolution\Data\Project1\INDUSTRIALES\VIN-E2.qgd

45

10,000,000 TIC
7
6

9
23 1

10
8

10.0 20.0 25.0

min
 Chromatogram VIN-23 C:\GCMSsolution\Data\Project1\INDUSTRIALES\VIN-E2.qgd
Group #1
45
10,000,000 TIC
7
6

9
1
23

10
8

10.0 20.0 25.0

min
Quantitative Result Table
 Spectrum

Line#:1 R.Time:1.463(Scan#:140)
MassPeaks:9
RawMode:Averaged 1.460-1.467(139-141) BasePeak:44(1757191)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
44
90

80

70

60

50

40

30

20

10
42 207
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
m/z

Line#:2 R.Time:1.563(Scan#:170)
MassPeaks:12
RawMode:Averaged 1.560-1.567(169-171) BasePeak:45(326260)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
45
90

80

70

60

50

40 46
30

20

10
41 57 69
40 50 60
m/z
Line#:3 R.Time:1.607(Scan#:183)
MassPeaks:15
RawMode:Averaged 1.603-1.610(182-184) BasePeak:45(324286)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
45
90

80

70

60

50

40 46
30 43
20

10
36 38 41 48
40 50
m/z

Line#:4 R.Time:2.137(Scan#:342)
MassPeaks:22
RawMode:Averaged 2.137-2.140(342-343) BasePeak:60(11659)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
60
90

80

70

60

50

40

30

20

10
37 50 52 64 69 72 77 8284 98
56 93 102
40 50 60 70 80 90 100
m/z
Line#:5 R.Time:2.140(Scan#:343)
MassPeaks:31
RawMode:Averaged 2.140-2.143(343-344) BasePeak:60(316201)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
60
90

80

70

60

50

40

30

20

10
47 52 58 68
36 82 93 102 113 130
40 50 60 70 80 90 100 110 120 130
m/z

Line#:6 R.Time:2.213(Scan#:365)
MassPeaks:24
RawMode:Averaged 2.210-2.217(364-366) BasePeak:43(719353)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
43
90 45
80

70 60
60

50

40

30

20

10
36 40 56 61 69 79 95
40 50 60 70 80 90
m/z
Line#:7 R.Time:2.730(Scan#:520)
MassPeaks:42
RawMode:Averaged 2.727-2.733(519-521) BasePeak:43(1669799)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
43
90

80

70

60

50

40

30 61
20
57 73
10
39 45 56 72
36 79 84 87 91 100
40 50 60 70 80 90 100
m/z

Line#:8 R.Time:3.567(Scan#:771)
MassPeaks:29
RawMode:Averaged 3.563-3.570(770-772) BasePeak:43(176311)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
43
90

80

70

60

50

40
56
30

20
73
41
10
38 54 61 70 86 91
50
40 50 60 70 80 90
m/z
Line#:9 R.Time:4.260(Scan#:979)
MassPeaks:39
RawMode:Averaged 4.257-4.263(978-980) BasePeak:43(729344)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
43
90

80

70

60

50
56
40

30

20 41 73
61
10
38 50 54 70 75 86 101
40 50 60 70 80 90 100
m/z

Line#:10 R.Time:6.470(Scan#:1642)
MassPeaks:34
RawMode:Averaged 6.467-6.473(1641-1643) BasePeak:39(126081)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
100
39
90 68
80

70

60

50

40

30

20 37
67
10
44 52 59 81 98 112
73
40 50 60 70 80 90 100 110
m/z
Mass Table
Line#:1 R.Time:1.463(Scan#:140)
MassPeaks:9
RawMode:Averaged 1.460-1.467(139-141) BasePeak:44(1757191)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/z Rel. Int.
1 39 0.05 3 41 0.07 5 43 8.05 7 45 1.81 9 207 0.04
2 40 0.68 4 42 0.75 6 44 100.00 8 46 0.50
Line#:2 R.Time:1.563(Scan#:170)
MassPeaks:12
RawMode:Averaged 1.560-1.567(169-171) BasePeak:45(326260)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int.
1 39 0.06 4 42 8.27 7 45 100.00 10 48 0.34
2 40 0.86 5 43 18.56 8 46 35.43 11 57 0.22
3 41 2.44 6 44 10.79 9 47 1.03 12 69 0.37
Line#:3 R.Time:1.607(Scan#:183)
MassPeaks:15
RawMode:Averaged 1.603-1.610(182-184) BasePeak:45(324286)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/z Rel. Int.
1 36 0.29 4 40 0.67 7 43 27.18 10 46 36.60 13 55 0.43
2 38 0.41 5 41 3.34 8 44 11.45 11 47 1.34 14 57 0.28
3 39 0.36 6 42 8.96 9 45 100.00 12 48 0.23 15 58 2.84
Line#:4 R.Time:2.137(Scan#:342)
MassPeaks:22
RawMode:Averaged 2.137-2.140(342-343) BasePeak:60(11659)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/z Rel. Int.
1 37 2.39 6 52 0.85 11 66 0.59 16 82 1.04 21 98 1.11
2 48 0.92 7 56 0.14 12 69 2.84 17 84 1.13 22 102 0.48
3 49 0.42 8 60 100.00 13 72 2.86 18 91 0.04
4 50 0.94 9 61 0.04 14 77 1.78 19 92 0.55
5 51 0.51 10 64 4.28 15 79 0.16 20 93 0.57
Line#:5 R.Time:2.140(Scan#:343)
MassPeaks:31
RawMode:Averaged 2.140-2.143(343-344) BasePeak:60(316201)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/z Rel. Int.
1 36 0.14 8 59 14.68 15 70 0.00 22 93 0.17 29 115 0.02
2 47 0.71 9 60 100.00 16 72 0.60 23 95 0.17 30 116 0.01
3 52 0.04 10 63 0.17 17 80 0.01 24 98 0.07 31 130 0.12
4 55 0.08 11 65 0.03 18 82 0.09 25 101 0.02
5 56 0.25 12 66 0.10 19 83 0.03 26 102 0.04
6 57 1.22 13 68 0.40 20 91 0.14 27 113 0.17
7 58 3.68 14 69 1.40 21 92 0.02 28 114 0.10
Line#:6 R.Time:2.213(Scan#:365)
MassPeaks:24
RawMode:Averaged 2.210-2.217(364-366) BasePeak:43(719353)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/z Rel. Int.
1 35 0.05 6 41 7.89 11 46 1.75 16 58 1.08 21 69 0.03
2 36 0.08 7 42 30.07 12 47 0.46 17 59 8.37 22 70 0.03
3 38 0.10 8 43 100.00 13 55 0.12 18 60 67.47 23 79 0.05
4 39 0.33 9 44 18.81 14 56 0.23 19 61 1.82 24 95 0.05
5 40 2.22 10 45 88.82 15 57 0.22 20 62 0.38
Line#:7 R.Time:2.730(Scan#:520)
MassPeaks:42
RawMode:Averaged 2.727-2.733(519-521) BasePeak:43(1669799)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
 # m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/zRel. Int.
1 35 0.02 10 44 3.22 19 59 5.28 28 73 13.39 37 87 0.49
2 36 0.05 11 45 2.04 20 60 3.26 29 74 1.79 38 91 0.02
3 37 0.36 12 46 0.12 21 61 25.22 30 75 1.45 39 100 0.02
4 38 1.09 13 53 0.13 22 62 0.74 31 76 0.06 40 101 0.22
5 39 3.85 14 54 0.11 23 63 0.15 32 79 0.02 41 102 0.93
6 40 2.05 15 55 0.40 24 69 0.00 33 81 0.02 42 103 0.04
7 41 10.54 16 56 1.75 25 70 0.02 34 83 0.02
8 42 22.48 17 57 12.61 26 71 0.27 35 84 0.21
9 43 100.00 18 58 1.19 27 72 2.70 36 86 0.08
Line#:8 R.Time:3.567(Scan#:771)
MassPeaks:29
RawMode:Averaged 3.563-3.570(770-772) BasePeak:43(176311)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/zRel. Int.
1 37 0.46 7 43 100.00 13 54 0.96 19 60 0.57 25 73 19.78
2 38 1.40 8 44 3.11 14 55 6.23 20 61 3.61 26 74 2.10
3 39 5.78 9 45 0.42 15 56 31.66 21 69 0.42 27 86 2.35
4 40 2.90 10 50 0.20 16 57 4.37 22 70 0.62 28 91 1.51
5 41 14.59 11 51 0.82 17 58 0.50 23 71 3.89 29 92 0.68
6 42 14.55 12 53 0.74 18 59 1.06 24 72 2.58
Line#:9 R.Time:4.260(Scan#:979)
MassPeaks:39
RawMode:Averaged 4.257-4.263(978-980) BasePeak:43(729344)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/zRel. Int.
1 37 0.41 9 45 2.24 17 55 11.77 25 69 0.10 33 84 0.10
2 38 1.22 10 46 0.17 18 56 40.79 26 70 0.44 34 85 0.35
3 39 5.52 11 47 0.05 19 57 4.68 27 71 2.22 35 86 1.14
4 40 3.20 12 50 0.29 20 58 1.88 28 72 1.72 36 87 1.54
5 41 17.60 13 51 0.38 21 59 0.20 29 73 16.92 37 88 0.35
6 42 14.84 14 52 0.27 22 60 1.53 30 74 0.80 38 89 0.05
7 43 100.00 15 53 0.67 23 61 13.21 31 75 0.19 39 101 0.33
8 44 3.67 16 54 1.50 24 62 0.39 32 83 0.11
Line#:10 R.Time:6.470(Scan#:1642)
MassPeaks:34
RawMode:Averaged 6.467-6.473(1641-1643) BasePeak:39(126081)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int. # m/zRel. Int.
1 35 1.15 8 42 2.90 15 51 0.59 22 58 0.78 29 69 5.06
2 36 5.27 9 43 1.85 16 52 1.48 23 59 1.00 30 70 0.81
3 37 19.17 10 44 3.75 17 53 7.07 24 60 0.20 31 73 0.19
4 38 35.40 11 45 2.27 18 54 0.72 25 61 0.05 32 81 0.61
5 39 100.00 12 48 0.84 19 55 0.62 26 66 1.54 33 98 1.03
6 40 63.04 13 49 0.62 20 56 0.73 27 67 11.28 34 112 2.56
7 41 5.00 14 50 0.71 21 57 0.39 28 68 85.00
Library
<< Target >>
Line#:1 R.Time:1.463(Scan#:140) MassPeaks:9
RawMode:Averaged 1.460-1.467(139-141) BasePeak:44.05(1757191)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
44
70
40
42 207
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:43 Library:NIST11.lib
SI:99 Formula:C2HF CAS:2713-09-9 MolWeight:44 RetIndex:191
CompName:Ethyne, fluoro- $$ Fluoroacetylene $$ Acetylene, fluoro- $$ Monofluoroacetylene $$ HC.$.CF $$ Fluoroethyne $$ C2HF $$ 1-Fluoroacetylene #
100
44
70
40
F
31
13 22
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:31 Library:NIST11s.lib
SI:98 Formula:C2HF CAS:2713-09-9 MolWeight:44 RetIndex:191
CompName:Ethyne, fluoro- $$ Fluoroacetylene $$ Acetylene, fluoro- $$ Monofluoroacetylene $$ HC.$.CF $$ Fluoroethyne $$ C2HF $$ 1-Fluoroacetylene #
100
44
70
40
F
31
13 22
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:463 Library:NIST11.lib
SI:95 Formula:CH6N2O2 CAS:1111-78-0 MolWeight:78 RetIndex:0
CompName:Carbamic acid, monoammonium salt $$ Ammonium carbamate $$ Carbamic acid, ammonium salt $$ Ammonium carbaminate $$ Carbamic acid #
100
44 O NH2
70
40 17 N
O
12 22 28
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:4 Entry:42 Library:NIST11.lib
SI:95 Formula:CO2 CAS:124-38-9 MolWeight:44 RetIndex:0
CompName:Carbon dioxide $$ Carbon oxide (CO2) $$ Carbonic acid, gas $$ Carbonic anhydride $$ Dry ice $$ CO2 $$ Anhydride carbonique $$ Carbonica
100
70
44
O
40
C
O
12 22 28
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:5 Entry:4500 Library:NIST11.lib
SI:95 Formula:C5H12N2O CAS:71773-95-0 MolWeight:116 RetIndex:1097
CompName:l-Alanine ethylamide, (S)- $$ 2-Amino-N-ethylpropanamide # $$
100 NH2
44
70 NH
40
17 28 42 56 72 83 101 116 O

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:2 R.Time:1.563(Scan#:170) MassPeaks:12
RawMode:Averaged 1.560-1.567(169-171) BasePeak:45.10(326260)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
45
70
40 46
41 57 69
0 10 20 30 40 50 60
Hit#:1 Entry:48 Library:NIST11s.lib
SI:97 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $
100
31
70 45 OH
40
27 43
2 12 15 19 24 33 40
0 10 20 30 40 50 60
Hit#:2 Entry:56 Library:NIST11.lib
SI:97 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $
100
31
70 45
OH
40 29
14 19 26 42 47
0 10 20 30 40 50 60
Hit#:3 Entry:47 Library:NIST11s.lib
SI:96 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $
100
31
70
45
OH
40
14 19 26 42 47
0 10 20 30 40 50 60
Hit#:4 Entry:48 Library:NIST11.lib
SI:94 Formula:CH3NO CAS:865-40-7 MolWeight:45 RetIndex:0
CompName:Methane, nitroso- $$ Nitrosomethane $$ CH3NO $$
100
30
70
45
O
40 15
27
N
16 43

0 10 20 30 40 50 60
Hit#:5 Entry:49 Library:NIST11s.lib
SI:93 Formula:C2H6O CAS:115-10-6 MolWeight:46 RetIndex:296
CompName:Dimethyl ether $$ Methane, oxybis- $$ Methyl ether $$ Methoxymethane $$ Wood ether $$ Oxybismethane $$ (CH3)2O $$ Ether, dimethyl $$ E
100
29 45
70 15
40 O
14 31
19 24 42 47
0 10 20 30 40 50 60
<< Target >>
Line#:3 R.Time:1.607(Scan#:183) MassPeaks:15
RawMode:Averaged 1.603-1.610(182-184) BasePeak:45.10(324286)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
45
70
40 43 46
36 38 41 48
0 10 20 30 40 50 60 70
Hit#:1 Entry:56 Library:NIST11.lib
SI:96 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $
100
31
70 45
OH
40 29
14 19 26 42 47
0 10 20 30 40 50 60 70
Hit#:2 Entry:47 Library:NIST11s.lib
SI:95 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $
100
31
70
45
OH
40
14 19 26 42 47
0 10 20 30 40 50 60 70
Hit#:3 Entry:48 Library:NIST11s.lib
SI:95 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:463
CompName:Ethanol $$ Ethyl alcohol $$ Alcohol $$ Alcohol anhydrous $$ Algrain $$ Anhydrol $$ Denatured ethanol $$ Ethyl hydrate $$ Ethyl hydroxide $
100
31
70 45 OH
40
27 43
2 12 15 19 24 33 40
0 10 20 30 40 50 60 70
Hit#:4 Entry:48 Library:NIST11.lib
SI:91 Formula:CH3NO CAS:865-40-7 MolWeight:45 RetIndex:0
CompName:Methane, nitroso- $$ Nitrosomethane $$ CH3NO $$
100
30
70
45
O
40 15
27
N
16 43

0 10 20 30 40 50 60 70
Hit#:5 Entry:1215 Library:NIST11s.lib
SI:91 Formula:C2H5NO3 CAS:625-48-9 MolWeight:91 RetIndex:844
CompName:Ethanol, 2-nitro- $$ .beta.-Nitroethanol $$ 2-Nitroethanol $$ .beta.-Nitroethyl alcohol $$
100
45 O OH
70 N
27
40 30 O
13 15 19 25 41 46
57 61 75
0 10 20 30 40 50 60 70
<< Target >>
Line#:4 R.Time:2.137(Scan#:342) MassPeaks:22
RawMode:Averaged 2.137-2.140(342-343) BasePeak:59.95(11659)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
60
70
40
37 50 56 64 69 7782 9398
10 30 50 70 90 110 130 150 170 190 210
Hit#:1 Entry:136 Library:NIST11s.lib
SI:86 Formula:COS CAS:463-58-1 MolWeight:60 RetIndex:0
CompName:Carbonyl sulfide $$ Carbon oxide sulfide $$ Carbon oxysulfide $$ COS $$ Oxycarbon sulfide $$ UN 2204 $$ Oxo(thioxo)methane # $$ Carbon
100
70 32
60
O
40
C
12 28 44
S
10 30 50 70 90 110 130 150 170 190 210
Hit#:2 Entry:138 Library:NIST11s.lib
SI:86 Formula:C2H4O2 CAS:107-31-3 MolWeight:60 RetIndex:484
CompName:Methyl formate $$ Formic acid, methyl ester $$ Methyl methanoate $$ HCOOCH3 $$ Formiate de methyle $$ Methylester kyseliny mravenci $$
100
29 O
70
60
40
14 44
O
56
10 30 50 70 90 110 130 150 170 190 210
Hit#:3 Entry:132 Library:NIST11.lib
SI:86 Formula:C2H4O2 CAS:107-31-3 MolWeight:60 RetIndex:484
CompName:Methyl formate $$ Formic acid, methyl ester $$ Methyl methanoate $$ HCOOCH3 $$ Formiate de methyle $$ Methylester kyseliny mravenci $$
100
31 O
70
29 60
40
14
O
42 56
10 30 50 70 90 110 130 150 170 190 210
Hit#:4 Entry:130 Library:NIST11.lib
SI:85 Formula:COS CAS:463-58-1 MolWeight:60 RetIndex:0
CompName:Carbonyl sulfide $$ Carbon oxide sulfide $$ Carbon oxysulfide $$ COS $$ Oxycarbon sulfide $$ UN 2204 $$ Oxo(thioxo)methane # $$ Carbon
100
70 32
60
O
40
C
28 44
S
16
10 30 50 70 90 110 130 150 170 190 210
Hit#:5 Entry:51344 Library:NIST11.lib
SI:82 Formula:C11H14ClNO CAS:15769-91-2 MolWeight:211 RetIndex:1636
CompName:2H-1,2-Oxazine, 6-(4-chlorophenyl)tetrahydro-2-methyl- $$ 2H-1,2-Oxazine, 6-(p-chlorophenyl)tetrahydro-2-methyl- $$ 6-(4-Chlorophenyl)-2-m
100
60
70 N O
Cl
40
43 50 75 89 103 115 139 151 211
10 30 50 70 90 110 130 150 170 190 210
<< Target >>
Line#:5 R.Time:2.140(Scan#:343) MassPeaks:31
RawMode:Averaged 2.140-2.143(343-344) BasePeak:59.95(316201)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
60
70
40
36 47 52 58 68 82 93 102 113 130
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:132 Library:NIST11.lib
SI:89 Formula:C2H4O2 CAS:107-31-3 MolWeight:60 RetIndex:484
CompName:Methyl formate $$ Formic acid, methyl ester $$ Methyl methanoate $$ HCOOCH3 $$ Formiate de methyle $$ Methylester kyseliny mravenci $$
100
31 O
70
29 60
40
14
O
42 56
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:136 Library:NIST11s.lib
SI:85 Formula:COS CAS:463-58-1 MolWeight:60 RetIndex:0
CompName:Carbonyl sulfide $$ Carbon oxide sulfide $$ Carbon oxysulfide $$ COS $$ Oxycarbon sulfide $$ UN 2204 $$ Oxo(thioxo)methane # $$ Carbon
100
70 32
60
O
40
C
12 16 28 44 48
S
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:138 Library:NIST11s.lib
SI:85 Formula:C2H4O2 CAS:107-31-3 MolWeight:60 RetIndex:484
CompName:Methyl formate $$ Formic acid, methyl ester $$ Methyl methanoate $$ HCOOCH3 $$ Formiate de methyle $$ Methylester kyseliny mravenci $$
100
29 O
70
60
40
14 44
O
56
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:4 Entry:130 Library:NIST11.lib
SI:84 Formula:COS CAS:463-58-1 MolWeight:60 RetIndex:0
CompName:Carbonyl sulfide $$ Carbon oxide sulfide $$ Carbon oxysulfide $$ COS $$ Oxycarbon sulfide $$ UN 2204 $$ Oxo(thioxo)methane # $$ Carbon
100
70 32
60
O
40
C
28 44
S
16
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:5 Entry:137 Library:NIST11s.lib
SI:82 Formula:C2H4O2 CAS:107-31-3 MolWeight:60 RetIndex:484
CompName:Methyl formate $$ Formic acid, methyl ester $$ Methyl methanoate $$ HCOOCH3 $$ Formiate de methyle $$ Methylester kyseliny mravenci $$
100
31 O
70
29
40 60
15 O
18 44 56 62
10 20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:6 R.Time:2.213(Scan#:365) MassPeaks:24
RawMode:Averaged 2.210-2.217(364-366) BasePeak:43.00(719353)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
43 60
70
40
36 40 56 61 69 79 95
0 10 20 30 40 50 60 70 80 90
Hit#:1 Entry:141 Library:NIST11s.lib
SI:96 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:576
CompName:Acetic acid $$ Ethanoic acid $$ Ethylic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Vinegar acid $$ CH3COOH $$ Acetasol $$ Ac
100
43
60 O
70
40
14 29 42 OH
25 47
0 10 20 30 40 50 60 70 80 90
Hit#:2 Entry:140 Library:NIST11s.lib
SI:95 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:576
CompName:Acetic acid $$ Ethanoic acid $$ Ethylic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Vinegar acid $$ CH3COOH $$ Acetasol $$ Ac
100
43 O
70 60
40 15
29 42 OH
14 25 36 47 56
0 10 20 30 40 50 60 70 80 90
Hit#:3 Entry:458 Library:NIST11.lib
SI:95 Formula:C2H7NO2 CAS:631-61-8 MolWeight:77 RetIndex:630
CompName:Ammonium acetate $$ Acetic acid, ammonium salt $$ Mindererus's spirit $$
100 H
17 43 H
70 60 N O
H
40 H
42
14 25 29 47 O

0 10 20 30 40 50 60 70 80 90
Hit#:4 Entry:139 Library:NIST11s.lib
SI:95 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:576
CompName:Acetic acid $$ Ethanoic acid $$ Ethylic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Vinegar acid $$ CH3COOH $$ Acetasol $$ Ac
100
43 O
70 60
15
40
16 OH
27 32 59
0 10 20 30 40 50 60 70 80 90
Hit#:5 Entry:134 Library:NIST11.lib
SI:94 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:576
CompName:Acetic acid $$ Ethanoic acid $$ Ethylic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Vinegar acid $$ CH3COOH $$ Acetasol $$ Ac
100
43 60 O
70
40
15 OH
2 18 26 29 32 55
0 10 20 30 40 50 60 70 80 90
<< Target >>
Line#:7 R.Time:2.730(Scan#:520) MassPeaks:42
RawMode:Averaged 2.727-2.733(519-521) BasePeak:43.05(1669799)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
43
70
40 61
36 45 56 72 79 84 91 100
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:1 Entry:2241 Library:NIST11.lib
SI:93 Formula:C5H10O2 CAS:109-60-4 MolWeight:102 RetIndex:686
CompName:n-Propyl acetate $$ Acetic acid, propyl ester $$ Propyl acetate $$ 1-Acetoxypropane $$ 1-Propyl acetate $$ CH3COOCH2CH2CH3 $$ Acetic ac
100
43 O
70
40 61 O
27 31 59 73
15 39 44 87
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:2 Entry:2040 Library:NIST11s.lib
SI:91 Formula:C5H10O2 CAS:109-60-4 MolWeight:102 RetIndex:686
CompName:n-Propyl acetate $$ Acetic acid, propyl ester $$ Propyl acetate $$ 1-Acetoxypropane $$ 1-Propyl acetate $$ CH3COOCH2CH2CH3 $$ Acetic ac
100
43 O
70
40 61 O
27 31 37 42 57 63 72 101
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:3 Entry:2037 Library:NIST11s.lib
SI:90 Formula:C5H10O2 CAS:109-60-4 MolWeight:102 RetIndex:686
CompName:n-Propyl acetate $$ Acetic acid, propyl ester $$ Propyl acetate $$ 1-Acetoxypropane $$ 1-Propyl acetate $$ CH3COOCH2CH2CH3 $$ Acetic ac
100
43 O
70
40 O
27 31 39 45 59 72
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:4 Entry:2236 Library:NIST11.lib
SI:89 Formula:C5H10O2 CAS:3393-64-4 MolWeight:102 RetIndex:833
CompName:2-Butanone, 4-hydroxy-3-methyl- $$ 3-(Hydroxymethyl)-2-butanone $$ 4-Hydroxy-3-methyl-2-butanone $$
100 O
43
70
61 OH
40
15 25 29 39 50 55 69 84 102
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:5 Entry:20925 Library:NIST11.lib
SI:87 Formula:C6H10O3S CAS:76497-39-7 MolWeight:162 RetIndex:1297
CompName:Propanoic acid, 3-(acetylthio)-2-methyl-, (S)- $$ D-(-)-3-Acetylthioisobutyric acid $$ 3-(Acetylsulfanyl)-2-methylpropanoic acid, (S)- $$
100
43 O O
70
S OH
40
39 61 102
15 27 55 69 74 86 119 134 144 162
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
<< Target >>
Line#:8 R.Time:3.567(Scan#:771) MassPeaks:29
RawMode:Averaged 3.563-3.570(770-772) BasePeak:43.05(176311)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
43
70
40 56
41 73
38 50 54 61 70 86 91
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:1 Entry:3574 Library:NIST11s.lib
SI:94 Formula:C6H12O2 CAS:110-19-0 MolWeight:116 RetIndex:721
CompName:Isobutyl acetate $$ Acetic acid, 2-methylpropyl ester $$ Acetic acid, isobutyl ester $$ .beta.-Methylpropyl ethanoate $$ 2-Methylpropyl acetate $$
100
43
70
56 O O
40
41 71
15 18 26 29 33 51 57 86 101
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:2 Entry:3575 Library:NIST11s.lib
SI:94 Formula:C6H12O2 CAS:110-19-0 MolWeight:116 RetIndex:721
CompName:Isobutyl acetate $$ Acetic acid, 2-methylpropyl ester $$ Acetic acid, isobutyl ester $$ .beta.-Methylpropyl ethanoate $$ 2-Methylpropyl acetate $$
100
43
70
O O
40 56
41 71
15 27 61 86 101
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:3 Entry:3570 Library:NIST11s.lib
SI:94 Formula:C6H12O2 CAS:110-19-0 MolWeight:116 RetIndex:721
CompName:Isobutyl acetate $$ Acetic acid, 2-methylpropyl ester $$ Acetic acid, isobutyl ester $$ .beta.-Methylpropyl ethanoate $$ 2-Methylpropyl acetate $$
100
43
70
O O
40 56
15 27 31 41
2 18 53 61 71 86 101
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:4 Entry:4536 Library:NIST11.lib
SI:94 Formula:C6H12O2 CAS:123-86-4 MolWeight:116 RetIndex:785
CompName:Acetic acid, butyl ester $$ n-Butyl acetate $$ Butyl acetate $$ Butyl ethanoate $$ 1-Butyl acetate $$ CH3COO(CH2)3CH3 $$ Acetic acid n-buty
100
43
O
70
40 56
O
29 41 61
15 18 53 71 83 87 101 115
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:5 Entry:3573 Library:NIST11s.lib
SI:93 Formula:C6H12O2 CAS:110-19-0 MolWeight:116 RetIndex:721
CompName:Isobutyl acetate $$ Acetic acid, 2-methylpropyl ester $$ Acetic acid, isobutyl ester $$ .beta.-Methylpropyl ethanoate $$ 2-Methylpropyl acetate $$
100
43
70
O O
40 56
73
27 38 44 53 61 86 93 101 116
0 10 20 30 40 50 60 70 80 90 100 110
<< Target >>
Line#:9 R.Time:4.260(Scan#:979) MassPeaks:39
RawMode:Averaged 4.257-4.263(978-980) BasePeak:43.05(729344)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
43
70
56
40 41 73
61
38 50 54 70 86 101
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:1 Entry:4536 Library:NIST11.lib
SI:97 Formula:C6H12O2 CAS:123-86-4 MolWeight:116 RetIndex:785
CompName:Acetic acid, butyl ester $$ n-Butyl acetate $$ Butyl acetate $$ Butyl ethanoate $$ 1-Butyl acetate $$ CH3COO(CH2)3CH3 $$ Acetic acid n-buty
100
43
O
70
40 56
O
29 41 61
15 18 53 71 83 87 101 115
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:2 Entry:3571 Library:NIST11s.lib
SI:95 Formula:C6H12O2 CAS:123-86-4 MolWeight:116 RetIndex:785
CompName:Acetic acid, butyl ester $$ n-Butyl acetate $$ Butyl acetate $$ Butyl ethanoate $$ 1-Butyl acetate $$ CH3COO(CH2)3CH3 $$ Acetic acid n-buty
100
43
O
70
56
40 O
29 41 61
15 18 53 71 87 91 101 117
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:3 Entry:4537 Library:NIST11.lib
SI:93 Formula:C6H12O2 CAS:110-19-0 MolWeight:116 RetIndex:721
CompName:Isobutyl acetate $$ Acetic acid, 2-methylpropyl ester $$ Acetic acid, isobutyl ester $$ .beta.-Methylpropyl ethanoate $$ 2-Methylpropyl acetate $$
100
43
70
56 O O
40 73
41
15 18 29 61 71 86
53 101 115
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:4 Entry:3572 Library:NIST11s.lib
SI:92 Formula:C6H12O2 CAS:123-86-4 MolWeight:116 RetIndex:785
CompName:Acetic acid, butyl ester $$ n-Butyl acetate $$ Butyl acetate $$ Butyl ethanoate $$ 1-Butyl acetate $$ CH3COO(CH2)3CH3 $$ Acetic acid n-buty
100
43
O
70 56
40 73 O
27 39 44 55 61 71 87
0 10 20 30 40 50 60 70 80 90 100 110
Hit#:5 Entry:3570 Library:NIST11s.lib
SI:92 Formula:C6H12O2 CAS:110-19-0 MolWeight:116 RetIndex:721
CompName:Isobutyl acetate $$ Acetic acid, 2-methylpropyl ester $$ Acetic acid, isobutyl ester $$ .beta.-Methylpropyl ethanoate $$ 2-Methylpropyl acetate $$
100
43
70
O O
40 56
15 27 31 41
2 18 53 61 71 86 101
0 10 20 30 40 50 60 70 80 90 100 110
<< Target >>
Line#:10 R.Time:6.470(Scan#:1642) MassPeaks:34
RawMode:Averaged 6.467-6.473(1641-1643) BasePeak:39.10(126081)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
39 68
70
40 37
44 52 59 67 73 81 98 112
10 20 30 40 50 60 70 80 90 100 110
Hit#:1 Entry:2864 Library:NIST11s.lib
SI:95 Formula:C5H4O3 CAS:616-02-4 MolWeight:112 RetIndex:1068
CompName:2,5-Furandione, 3-methyl- $$ Citraconic anhydride $$ .alpha.-Methylmaleic anhydride $$ Citraconic acid anhydride $$ Methylmaleic anhydride $
100 O
39 68 O O
70
40 37
26 44 52 67 112
10 20 30 40 50 60 70 80 90 100 110
Hit#:2 Entry:2863 Library:NIST11s.lib
SI:94 Formula:C5H4O3 CAS:2170-03-8 MolWeight:112 RetIndex:1063
CompName:2,5-Furandione, dihydro-3-methylene- $$ Itaconic anhydride $$ Itaconic acid anhydride $$ Methylenesuccinic anhydride $$ Succinic anhydride,
100 O
39 68
70
O
40
37
26 44 52 60 67 83 112 O

10 20 30 40 50 60 70 80 90 100 110
Hit#:3 Entry:2862 Library:NIST11s.lib
SI:94 Formula:C5H4O3 CAS:616-02-4 MolWeight:112 RetIndex:1068
CompName:2,5-Furandione, 3-methyl- $$ Citraconic anhydride $$ .alpha.-Methylmaleic anhydride $$ Citraconic acid anhydride $$ Methylmaleic anhydride $
100 O
39 68 O O
70
40
13 18 26 49 53 58 70 85 112
10 20 30 40 50 60 70 80 90 100 110
Hit#:4 Entry:3389 Library:NIST11.lib
SI:94 Formula:C5H4O3 CAS:616-02-4 MolWeight:112 RetIndex:1068
CompName:2,5-Furandione, 3-methyl- $$ Citraconic anhydride $$ .alpha.-Methylmaleic anhydride $$ Citraconic acid anhydride $$ Methylmaleic anhydride $
100 O
39 68 O O
70
40
38
26 29 44 53 69 96 112
83 86 91
10 20 30 40 50 60 70 80 90 100 110
Hit#:5 Entry:3390 Library:NIST11.lib
SI:93 Formula:C5H4O3 CAS:2170-03-8 MolWeight:112 RetIndex:1063
CompName:2,5-Furandione, dihydro-3-methylene- $$ Itaconic anhydride $$ Itaconic acid anhydride $$ Methylenesuccinic anhydride $$ Succinic anhydride,
100 O
39 68
70
O
40
14 18 26 49 53 58 70 78 84 111 O

10 20 30 40 50 60 70 80 90 100 110
 Method

[Comment]

===== Analytical Line 1 =====

[GC-2010]
Column Oven Temp. :40.0 °C
Injection Temp. :300.00 °C
Injection Mode :Split
Flow Control Mode :Linear Velocity
Pressure :49.7 kPa
Total Flow :24.0 mL/min
Column Flow :1.00 mL/min
Linear Velocity :36.1 cm/sec
Purge Flow :3.0 mL/min
Split Ratio :20.0
High Pressure Injection :OFF
Carrier Gas Saver :OFF
Splitter Hold :OFF
Oven Temp. Program
Rate Temperature(°C) Hold Time(min)
- 40.0 2.00
4.00 320.0 20.00

< Ready Check Heat Unit >

Column Oven : Yes
SPL1 : Yes
MS : Yes
< Ready Check Detector(FTD/BID) >
< Ready Check Baseline Drift >
< Ready Check Injection Flow >
SPL1 Carrier : Yes
SPL1 Purge : Yes
< Ready Check APC Flow >
< Ready Check Detector APC Flow >
External Wait :No
Equilibrium Time :3.0 min

[GC Program]

[GCMS-QP2010 Ultra]
IonSourceTemp :260.00 °C
Interface Temp. :300.00 °C
Solvent Cut Time :1.00 min
Detector Gain Mode :Relative to the Tuning Result
Detector Gain :2.42 kV -0.30 kV
Threshold :1000

[MS Table]
--Group 1 - Event 1--
Start Time :1.00min
End Time :92.00min
ACQ Mode :Scan
Event Time :0.20sec
Scan Speed :3333
Start m/z :35.00
End m/z :550.00

Sample Inlet Unit :GC

[MS Program]
Use MS Program :OFF
Tuning
### Tuning Result ### MS : GCMS-QP2010 Ultra
Ionization Mode : EI
Tuning Date : 11/30/2023 8:28:36 AM
Filament# :1
Lens1 : 13.8 V
Lens2 : -25.8 V
Lens3 : 5.7 V
Lens4 : -50.0 V
RF Gain : 4935
RF Offset : 4985
Pre-rod : -10.5 V
Detector : 2.42 kV

Ionization voltage : 70 V
Emission current : 140 uA
Main-rod : -3.5 V
Conversion dynode: -10 kV

IonSourceTemp : 260 °C
m/z : 69.00 m/z : 219.00 m/z : 502.00 Low Vacuum : <1.0e+000 Pa
Factor : 11.99 Factor : 25.43 Factor : 250.01 High Vacuum : 1.6e-004 Pa
Inten. : 578746 Inten. : 271471 Inten. : 23759 Interface Temp. : 320 °C
Ratio. : 100.00 Ratio. : 46.91 Ratio. : 4.11 Oven Temp. : 40 °C
FWHM : 0.56 FWHM : 0.58 FWHM : 0.63 Column Pressure : 50 kPa
Column Flow : 1.0 mL/min
Column Diameter : 0.25 mm
Column Length : 30.0 m

Scan Range: 10.00 - 700.00 Scan Speed : 156

Base Peak : 69.00 (623218)
100 69.00
[*10.0]

131.00 219.00
502.00
414.00

28.00
100.00 264.00
31.05 169.00 614.00

100 200 300 400 500 600

Column Performance Report
Peak# R.Time k' T.Plate HETP Tailing F. Resolution Sep. F. ID# Name
1 1.465 0.000 12049 0.000 -- -- 0.000 Ethyne, fluoro-
2 1.564 0.068 1774 0.000 -- 0.987 0.000 Ethanol
3 1.606 0.097 5610 0.000 -- 0.360 1.423 Ethanol
4 2.140 0.461 -- -- -- -- 4.763 Methyl formate
5 2.143 0.464 -- -- -- -- 1.005 Methyl formate
6 2.212 0.511 19899 0.000 -- -- 1.102 Acetic acid
7 2.731 0.865 52705 0.000 -- 9.403 1.694 n-Propyl acetate
8 3.568 1.436 54596 0.000 -- 15.408 1.661 Isobutyl acetate
9 4.259 1.908 97160 0.000 -- 11.933 1.328 Acetic acid, butyl ester
10 6.471 3.418 11442 0.000 -- 14.915 1.792 2,5-Furandione, 3-methyl-