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Sample Information

Analyzed by : Admin
Analyzed : 7/31/2023 1:13:25 PM
Sample Type : Unknown
Level # :1
Sample Name : jumos1
Sample ID : jumos1
IS Amount : [1]=1
Sample Amount :1
Dilution Factor :1
Vial # :1
Injection Volume : 1.00
Data File : C:\GCMSsolution\Data\MÉXICO 2019\adhalia\jumos3.qgd
Org Data File : C:\GCMSsolution\Data\MÉXICO 2019\adhalia\jumos3.qgd
Method File : C:\GCMSsolution\Data\volatiles nuevo.qgm
Org Method File : C:\GCMSsolution\Data\volatiles nuevo.qgm
Report File : C:\GCMSsolution\Data\Hidrocarburos\gipnareport.qgr
Tuning File : C:\GCMSsolution\System\Tune1\Tune 27072023 70eV.qgt
Modified by : Admin
Modified : 7/31/2023 2:25:58 PM

Chromatogram jumos1 C:\GCMSsolution\Data\MÉXICO 2019\adhalia\jumos3.qgd


12

800,000 TIC
3

6
5
4

10.0 20.0 30.0 40.0 50.0 60.0 68.0


min
Chromatogram jumos1 C:\GCMSsolution\Data\MÉXICO 2019\adhalia\jumos3.qgd
Group #1
12

800,000 TIC
3

6
5
4

10.0 20.0 30.0 40.0 50.0 60.0 68.0


min
Quantitative Result Table
ID# Name R.Time m/z Area %RelAreaSimilarity S/N R.Index
1 2-Pentanone, 4-hydroxy- - 43 --- N.D.(Peak) --- - 0
2 2-Pentanone, 4-hydroxy-4-methyl- - 43 --- N.D.(Peak) --- - 0
3 1,2-Benzenediol - 110 --- N.D.(Peak) --- - 0
4 1,2,3-Benzenetriol - 126 --- N.D.(Peak) --- - 0
5 1-Undecanol - 55 --- N.D.(Peak) --- - 0
6 n-Hexadecanoic acid - 43 --- N.D.(Peak) --- - 0
7 [1,1'-Bicyclopropyl]-2-octanoic acid, 2'-hexyl-, methyl
- ester
45 --- N.D.(Peak) --- - 0
8 1-Hexadecanol - 55 --- N.D.(Peak) --- - 0
9 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- - 79 --- N.D.(Peak) --- - 0
10 Docosanoic acid - 43 --- N.D.(Peak) --- - 0
11 Decanedioic acid, dibutyl ester - 41 --- N.D.(Peak) --- - 0
12 Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl - ester
43 --- N.D.(Peak) --- - 0
13 Di-n-octyl phthalate - 149 --- N.D.(Peak) --- - 0
14 Methyl (Z)-5,11,14,17-eicosatetraenoate - 79 --- N.D.(Peak) --- - 0
15 Octadecanoic acid, 2,3-dihydroxypropyl ester - 43 --- N.D.(Peak) --- - 0
16 2-Bromotetradecane - 85 --- N.D.(Peak) --- - 0
17 Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] maleate
- 57 --- N.D.(Peak) --- - 0
Spectrum

Line#:1 R.Time:1.450(Scan#:286)
MassPeaks:29
RawMode:Averaged 1.443-1.457(284-288) BasePeak:46(7907238)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
110
100
46
90
80
70
60
50
40
30
42
20
10
37 53 55 61 65 73 77 79 93
40 50 60 70 80 90
m/z

Line#:2 R.Time:1.690(Scan#:358)
MassPeaks:36
RawMode:Averaged 1.680-1.693(355-359) BasePeak:47(8368219)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
110
100 46
90
80
70
60
50
40
30 42
20
10
37 53 55 61 65 69 73 77 79 93
40 50 60 70 80 90
m/z
Line#:3 R.Time:2.007(Scan#:453)
MassPeaks:19
RawMode:Averaged 2.000-2.013(451-455) BasePeak:83(120145)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
110
100
83
90
80
70
60
50
40
30
20 47
10 48 82
35 70 117
39
40 50 60 70 80 90 100 110 120
m/z

Line#:4 R.Time:36.403(Scan#:10772)
MassPeaks:34
RawMode:Averaged 36.397-36.410(10770-10774) BasePeak:68(10719)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
110
68
100 95
90 82
80 57
70
60
123
50 41
97
40
30
109
20 85
53 137
10

40 50 60 70 80 90 100 110 120 130


m/z
Line#:5 R.Time:62.437(Scan#:18582)
MassPeaks:71
RawMode:Averaged 62.433-62.447(18581-18585) BasePeak:83(5110)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
110
100 55 83
90
80
70
95 159
60
133
50 255 412
40 271
30 43 213 300
177 351
20
191 341
10

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
m/z

Line#:6 R.Time:64.197(Scan#:19110)
MassPeaks:63
RawMode:Averaged 64.193-64.207(19109-19113) BasePeak:218(6829)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
MS Spectrum
110
100
218
90
80
70
60
50 135
107 189
40
30 67 81 161
20 43
10 281
249 355 429
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
m/z
Mass Table
Line#:1 R.Time:1.450(Scan#:286)
MassPeaks:29
RawMode:Averaged 1.443-1.457(284-288) BasePeak:46(7907238)
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 0.02 7 44 9.00 13 53 0.01 19 63 0.02 25 77 1.08
2 39 0.06 8 45 92.08 14 55 0.03 20 65 0.02 26 78 0.04
3 40 1.20 9 46 100.00 15 56 0.01 21 73 0.46 27 79 0.01
4 41 5.22 10 47 96.94 16 57 0.01 22 74 0.03 28 91 0.06
5 42 21.82 11 48 1.80 17 59 0.05 23 75 0.05 29 93 0.06
6 43 63.31 12 49 0.45 18 61 0.09 24 76 0.01
Line#:2 R.Time:1.690(Scan#:358)
MassPeaks:36
RawMode:Averaged 1.680-1.693(355-359) BasePeak:47(8368219)
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 0.10 9 46 96.28 17 57 0.03 25 69 0.01 33 79 0.02
2 39 0.14 10 47 100.00 18 58 0.01 26 72 0.03 34 91 0.15
3 40 1.33 11 48 68.88 19 59 0.17 27 73 1.28 35 92 0.02
4 41 6.98 12 49 1.45 20 60 0.02 28 74 0.07 36 93 0.40
5 42 29.13 13 51 0.02 21 61 0.26 29 75 0.34
6 43 80.00 14 53 0.04 22 62 0.00 30 76 0.09
7 44 10.97 15 55 0.07 23 63 0.05 31 77 2.65
8 45 89.41 16 56 0.01 24 65 0.07 32 78 0.10
Line#:3 R.Time:2.007(Scan#:453)
MassPeaks:19
RawMode:Averaged 2.000-2.013(451-455) BasePeak:83(120145)
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 4.52 5 47 18.97 9 70 1.08 13 85 64.33 17 118 1.80
2 36 1.30 6 48 8.34 10 82 5.00 14 86 1.26 18 119 1.29
3 37 1.58 7 49 6.20 11 83 100.00 15 87 10.45 19 120 1.82
4 39 0.11 8 50 3.34 12 84 4.16 16 117 1.40
Line#:4 R.Time:36.403(Scan#:10772)
MassPeaks:34
RawMode:Averaged 36.397-36.410(10770-10774) BasePeak:68(10719)
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 39 6.28 8 53 12.14 15 69 67.66 22 84 10.54 29 110 18.60
2 40 3.63 9 55 62.60 16 70 26.22 23 85 18.69 30 111 24.26
3 41 49.03 10 56 22.61 17 71 44.94 24 94 13.63 31 123 53.57
4 42 4.58 11 57 76.86 18 79 18.32 25 95 95.79 32 124 29.01
5 43 53.99 12 58 8.29 19 81 62.39 26 96 33.50 33 125 13.42
6 44 0.89 13 67 55.43 20 82 88.10 27 97 40.92 34 137 13.23
7 45 0.78 14 68 100.00 21 83 66.46 28 109 30.17
Line#:5 R.Time:62.437(Scan#:18582)
MassPeaks:71
RawMode:Averaged 62.433-62.447(18581-18585) BasePeak:83(5110)
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 39 5.50 12 69 60.02 23 95 58.81 34 120 8.73 45 149 28.71
2 40 1.12 13 71 21.55 24 96 8.41 35 121 37.46 46 151 25.05
3 41 27.12 14 73 2.72 25 97 49.80 36 123 39.47 47 157 8.71
4 42 2.70 15 77 24.62 26 105 45.95 37 131 38.69 48 159 62.02
5 43 27.98 16 79 42.66 27 107 53.31 38 133 52.72 49 161 29.96
6 44 5.79 17 81 82.56 28 109 44.13 39 134 16.50 50 163 27.18
7 55 98.94 18 82 30.63 29 110 12.07 40 135 37.96 51 173 12.15
8 56 21.92 19 83 100.00 30 111 4.29 41 137 25.13 52 177 23.62
9 57 22.92 20 85 12.68 31 115 4.21 42 143 25.77 53 191 8.41
10 58 0.65 21 91 49.24 32 117 24.76 43 145 50.47 54 193 6.50
11 67 48.02 22 93 51.14 33 119 27.81 44 147 40.86 55 208 4.77
# m/zRel. Int. # m/z Rel. Int. # m/zRel. Int. # m/zRel. Int.
56 209 6.83 60 267 17.28 64 282 2.49 68 351 21.51
57 213 24.87 61 271 37.40 65 283 9.51 69 355 5.60
58 255 45.83 62 272 17.53 66 300 24.79 70 412 44.11
59 265 0.72 63 281 8.45 67 341 11.70 71 413 4.09
Line#:6 R.Time:64.197(Scan#:19110)
MassPeaks:63
RawMode:Averaged 64.193-64.207(19109-19113) BasePeak:218(6829)
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 38 4.33 14 83 12.80 27 120 17.47 40 149 27.94 53 209 0.54
2 41 13.27 15 91 16.44 28 121 28.28 41 161 27.71 54 218 100.00
3 43 17.04 16 93 35.54 29 122 41.00 42 162 6.24 55 219 27.98
4 45 0.79 17 94 13.68 30 123 35.00 43 163 12.17 56 249 2.96
5 55 20.12 18 95 38.51 31 131 17.18 44 175 16.14 57 265 3.31
6 57 9.34 19 96 2.93 32 133 24.69 45 177 3.73 58 281 8.46
7 67 25.45 20 97 7.26 33 134 28.80 46 189 38.22 59 282 3.70
8 69 18.48 21 103 3.49 34 135 44.93 47 190 2.94 60 283 3.62
9 71 14.09 22 105 27.52 35 136 33.34 48 191 7.54 61 341 0.94
10 77 5.92 23 107 40.88 36 137 9.68 49 193 3.41 62 355 3.85
11 79 24.69 24 108 19.18 37 145 9.62 50 203 33.36 63 429 2.99
12 81 25.57 25 109 33.37 38 147 18.38 51 207 12.92
13 82 18.82 26 119 26.07 39 148 30.25 52 208 4.76
Library
<< Target >>
Line#:1 R.Time:1.450(Scan#:286) Retention Index:696! MassPeaks:29
RawMode:Averaged 1.443-1.457(284-288) BasePeak:45.95(7907238)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
46
70
40 42
37 5355 61 65 73 7779 93
10 20 30 40 50 60 70 80 90
Hit#:1 Entry:74 Library:WR10R.lib
SI:84 Formula:CH6N2 CAS:7339-53-9 MolWeight:46 RetIndex:0
CompName:Hydrazine, methyl-, hydrochloride $$ HYDRAZINE, METHYL-, $$ methyldiazane hydrochloride $$ METHYLHYDRAZINE $$ Methylhydraz
100
28
70 31 NH
40 NH2
43
32
10 20 30 40 50 60 70 80 90
Hit#:2 Entry:45 Library:NIST11s.lib
SI:83 Formula:CH6N2 CAS:60-34-4 MolWeight:46 RetIndex:0
CompName:Hydrazine, methyl- $$ Methylhydrazine $$ Monomethylhydrazine $$ MMH $$ CH3NHNH2 $$ Hydrazomethane $$ 1-Methylhydrazine $$ Met
100
28
70 46 NH2
40 15 31 NH
14 42
22 26 47
10 20 30 40 50 60 70 80 90
Hit#:3 Entry:81 Library:WR10R.lib
SI:83 Formula:C2H6O CAS:64-17-5 MolWeight:46 RetIndex:0
CompName:Ethanol $$ 1-HYDROXYETHANE $$ 100C.NPA $$ ABSOLUTE ALCOHOL $$ ABSOLUTE ETHANOL $$ ABSOLUTE ETHYL ALCOHO
100
31
70
40 OH
2729
32
10 20 30 40 50 60 70 80 90
Hit#:4 Entry:485 Library:NIST11.lib
SI:83 Formula:CH4S2 CAS:6251-26-9 MolWeight:80 RetIndex:0
CompName:Methyl hydrogen disulfide $$ Methyl hydrodisulfide $$ Methyl sulfhydryl sulfide $$ Hydrogen methyl disulfide $$
100
46
70 SH
44
40
34 49 79 S
10 20 30 40 50 60 70 80 90
Hit#:5 Entry:1678 Library:WR10.lib
SI:83 Formula:CH4S2 CAS:6251-26-9 MolWeight:80 RetIndex:0
CompName:METHYL HYDRODISULFIDE $$ disulfanylmethane $$ METHANESULFENOTHIOIC ACID $$ METHYL HYDROGEN DISULFIDE $$ M
100
45
70 30 S
40 29 SH
34 41 79
82
10 20 30 40 50 60 70 80 90
<< Target >>
Line#:2 R.Time:1.690(Scan#:358) Retention Index:703! MassPeaks:36
RawMode:Averaged 1.680-1.693(355-359) BasePeak:47.00(8368219)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
46
70
40 42
37 53 61 69 77 93
10 30 50 70 90 110 130 150 170 190 210 230
Hit#:1 Entry:485 Library:NIST11.lib
SI:85 Formula:CH4S2 CAS:6251-26-9 MolWeight:80 RetIndex:0
CompName:Methyl hydrogen disulfide $$ Methyl hydrodisulfide $$ Methyl sulfhydryl sulfide $$ Hydrogen methyl disulfide $$
100
46
70 SH
44
40
34 49 79 S
10 30 50 70 90 110 130 150 170 190 210 230
Hit#:2 Entry:1678 Library:WR10.lib
SI:85 Formula:CH4S2 CAS:6251-26-9 MolWeight:80 RetIndex:0
CompName:METHYL HYDRODISULFIDE $$ disulfanylmethane $$ METHANESULFENOTHIOIC ACID $$ METHYL HYDROGEN DISULFIDE $$ M
100
45
70 30 S
40 29 41 SH
34 79

10 30 50 70 90 110 130 150 170 190 210 230


Hit#:3 Entry:195 Library:WR10.lib
SI:84 Formula:C2H4D3N CAS:20786-94-1 MolWeight:45 RetIndex:0
CompName:DIMETHYLAMINE-D3
100 D
47
70
28 D NH
40
45
15 D

10 30 50 70 90 110 130 150 170 190 210 230


Hit#:4 Entry:13238 Library:WR10.lib
SI:79 Formula:C3H3NO2S CAS:2295-31-0 MolWeight:117 RetIndex:0
CompName:2,4-Thiazolidinedione $$ 1,3-THIAZOLIDINE-2,4-DIONE $$ 2,4(3H,5H)-THIAZOLEDIONE $$ 2,4-DIOXOTHIAZOLIDINE $$ thiazolidine
100
46 NH
70 O O
28 42
40 14
74 S
60 117
79 93 231
10 30 50 70 90 110 130 150 170 190 210 230
Hit#:5 Entry:15869 Library:NIST11.lib
SI:79 Formula:C4H8O2S2 CAS:40018-26-6 MolWeight:152 RetIndex:1378
CompName:p-Dithiane-2,5-diol $$ 2,5-Dihydroxy-1,4-dithiane $$ 2,5-Dihydroxy-1,4-dithian $$ 1,4-Dithiane-2,5-diol $$
100
47 76 S OH
70
40
15 29 42 HO S
58 71 84 90 97 105 116 134
10 30 50 70 90 110 130 150 170 190 210 230
<< Target >>
Line#:3 R.Time:2.007(Scan#:453) Retention Index:711! MassPeaks:19
RawMode:Averaged 2.000-2.013(451-455) BasePeak:82.90(120145)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
83
70
40 47
35 39 70 82 117
10 20 30 40 50 60 70 80 90 100 110 120
Hit#:1 Entry:3780 Library:NIST11s.lib
SI:98 Formula:CHCl3 CAS:67-66-3 MolWeight:118 RetIndex:0
CompName:Trichloromethane $$ Chloroform $$ Freon 20 $$ Methane, trichloro- $$ R 20 $$ Trichloroform $$ CHCl3 $$ Formyl trichloride $$ Methane trich
100
83 Cl
70
40
47 Cl Cl
13 35 41 58 70 88 117
10 20 30 40 50 60 70 80 90 100 110 120
Hit#:2 Entry:4440 Library:WR10R.lib
SI:98 Formula:CHCl3 CAS:67-66-3 MolWeight:118 RetIndex:0
CompName:Methane, trichloro- $$ 1,1,1-TRICHLOROMETHANE $$ CHCL3 $$ CHLOROFORM $$ CHLOROFORM (ACN)(DOT) $$ CHLOROFORM
100 Cl
83
70
Cl
40 47
31 35 41 70 118 124 Cl
10 20 30 40 50 60 70 80 90 100 110 120
Hit#:3 Entry:4441 Library:WR10R.lib
SI:98 Formula:CHCl3 CAS:67-66-3 MolWeight:118 RetIndex:0
CompName:Methane, trichloro- $$ 1,1,1-TRICHLOROMETHANE $$ CHCL3 $$ CHLOROFORM $$ CHLOROFORM (ACN)(DOT) $$ CHLOROFORM
100 Cl
83
70
Cl
40 47
35 82 117 124 Cl
10 20 30 40 50 60 70 80 90 100 110 120
Hit#:4 Entry:4827 Library:NIST11.lib
SI:96 Formula:CHCl3 CAS:67-66-3 MolWeight:118 RetIndex:0
CompName:Trichloromethane $$ Chloroform $$ Freon 20 $$ Methane, trichloro- $$ R 20 $$ Trichloroform $$ CHCl3 $$ Formyl trichloride $$ Methane trich
100
83 Cl
70
40 47
35 Cl
117
Cl
13 41 58 70 88 124
10 20 30 40 50 60 70 80 90 100 110 120
Hit#:5 Entry:32196 Library:NIST11.lib
SI:96 Formula:C2H2Cl4O CAS:20524-86-1 MolWeight:182 RetIndex:987
CompName:Methane, oxybis[dichloro- $$ Ether, bis(dichloromethyl) $$ Bis(dichloromethyl) ether $$ Methane, oxybis*dichloro- $$ Dichloro(dichloromethox
100
83 Cl O Cl
70
40 47 Cl Cl
35 41 70
10 20 30 40 50 60 70 80 90 100 110 120
<< Target >>
Line#:4 R.Time:36.403(Scan#:10772) Retention Index:1736 MassPeaks:34
RawMode:Averaged 36.397-36.410(10770-10774) BasePeak:68.00(10719)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
57 68 82 95
70 41 123
97 109
40 85
53 137

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
Hit#:1 Entry:327718 Library:WR10.lib
SI:92 Formula:C20H38 CAS:504-96-1 MolWeight:278 RetIndex:0
CompName:Neophytadiene $$ 2,6,10-TRIMETHYL,14-ETHYLENE-14-PENTADECENE $$ 2,6,10-TRIMETHYL,14-ETHYLENE-14-PENTADECNE $$
100
68 82 95
70
41 123
40 109
27 137 151 179 193 208 263 278
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
Hit#:2 Entry:371364 Library:WR10.lib
SI:90 Formula:C20H40O CAS:150-86-7 MolWeight:296 RetIndex:0
CompName:2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- $$ Phytol $$ (2E)-3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL $$ (2E)(7R,
100
43 57 68 82 95
70 123 HO

40 109
137 151 278
179 208
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
Hit#:3 Entry:20394 Library:WR10R.lib
SI:89 Formula:C20H40O CAS:150-86-7 MolWeight:296 RetIndex:0
CompName:2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- $$ Phytol $$ (2E)-3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL $$ (2E)(7R,
100
43 57 68 82 95
70 123 HO

40 109 278

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
Hit#:4 Entry:147507 Library:NIST11.lib
SI:89 Formula:C22H42O2 CAS:0-00-0 MolWeight:338 RetIndex:2168
CompName:Phytol, acetate
100
43 68 123
70 57 95 O

40 109
O

15 29 137 151 165 179 208 222 236 249 263 278 296
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
Hit#:5 Entry:327717 Library:WR10.lib
SI:88 Formula:C20H38 CAS:504-96-1 MolWeight:278 RetIndex:0
CompName:Neophytadiene $$ 2,6,10-TRIMETHYL,14-ETHYLENE-14-PENTADECENE $$ 2,6,10-TRIMETHYL,14-ETHYLENE-14-PENTADECNE $$
100
68 82 95
70 41 57
123
40 109
137 152 278
179 208 263
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
<< Target >>
Line#:5 R.Time:62.437(Scan#:18582) Retention Index:3011 MassPeaks:71
RawMode:Averaged 62.433-62.447(18581-18585) BasePeak:83.05(5110)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
55 83
70 95 107 133 159
255 271 412
40 43 177 213 300
191 341

10 40 70 100 130 160 190 220 250 280 310 340 370 400
Hit#:1 Entry:186823 Library:NIST11.lib
SI:86 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:2739
CompName:Stigmasterol $$ Stigmasta-5,22-dien-3-ol, (3.beta.,22E)- $$ Stigmasta-5,22-dien-3.beta.-ol $$ .beta.-Stigmasterol $$ (24S)-5,22-Stigmastadien-3.b
100
55
83
70
43 91 133 159
40 255 271 412
199 213 229 300 351 369
15 314 HO

10 40 70 100 130 160 190 220 250 280 310 340 370 400
Hit#:2 Entry:29892 Library:NIST11s.lib
SI:85 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:2739
CompName:Stigmasterol $$ Stigmasta-5,22-dien-3-ol, (3.beta.,22E)- $$ Stigmasta-5,22-dien-3.beta.-ol $$ .beta.-Stigmasterol $$ (24S)-5,22-Stigmastadien-3.b
100
55 83
70 255
41 95 133 159
40 271
18 199 213 229 300
314 351 369 394 412
HO

10 40 70 100 130 160 190 220 250 280 310 340 370 400
Hit#:3 Entry:578673 Library:WR10.lib
SI:82 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:0
CompName:Stigmasta-5,22-dien-3-ol, (3.beta.,22E)- $$ Stigmasta-5,22-dien-3.beta.-ol $$ (22E)-STIGMASTA-5,22-DIEN-3-OL $$ (22E)-Stigmasta-5,22-die
100
55 83
70
40 41 97 255 412
109 133 159 213
271
300 351 369
173 229 HO

10 40 70 100 130 160 190 220 250 280 310 340 370 400
Hit#:4 Entry:578675 Library:WR10.lib
SI:82 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:0
CompName:Stigmasta-5,22-dien-3-ol, (3.beta.,22E)- $$ Stigmasta-5,22-dien-3.beta.-ol $$ (22E)-STIGMASTA-5,22-DIEN-3-OL $$ (22E)-Stigmasta-5,22-die
100
55
70 83
69
40 107 133 159 255
271 412
29 173 199 213 300 HO351

10 40 70 100 130 160 190 220 250 280 310 340 370 400
Hit#:5 Entry:578671 Library:WR10.lib
SI:82 Formula:C29H48O CAS:83-48-7 MolWeight:412 RetIndex:0
CompName:(22E)-STIGMASTA-5,22-DIEN-3-OL $$ (22E)-STIGMASTA-5,22-DIEN-3.beta.-OL $$ (22E,24S)-24-ETHYLCHOLESTA-5,22-DIEN-3.beta
100
55 83
70 69
40 107 133 159 255
271 300 412
29 173 213 351 369
HO

10 40 70 100 130 160 190 220 250 280 310 340 370 400
<< Target >>
Line#:6 R.Time:64.197(Scan#:19110) Retention Index:3132 MassPeaks:63
RawMode:Averaged 64.193-64.207(19109-19113) BasePeak:218.10(6829)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100
218
70
107 122 189 203
40 43 67 81 161
249 265 281 355
20 50 80 110 140 170 200 230 260 290 320 350 380 410
Hit#:1 Entry:640239 Library:WR10.lib
SI:83 Formula:C31H50O4 CAS:0-00-0 MolWeight:486 RetIndex:0
CompName:METHYL COMMATE D $$ methyl (4beta)-2,3-dihydroxyurs-12-en-23-oate
100
218
70
107 133 203 HO

40 81 91 147 189
49 69 173 204 231 HO

20 50 80 110 140 170 200 230 260 290 320 350 380 410
Hit#:2 Entry:101320 Library:NIST11.lib
SI:81 Formula:C17H26O3 CAS:0-00-0 MolWeight:278 RetIndex:2018
CompName:Acetic acid, 3-hydroxy-7-isopropenyl-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl ester $$ 3-Hydroxy-7-isopropenyl-1,4a-dimethyl-
100
43 95 218 HO
70 147 O
41 203
40 67 79 107 123 161 175
O

27 192 260
234 278
20 50 80 110 140 170 200 230 260 290 320 350 380 410
Hit#:3 Entry:326881 Library:WR10.lib
SI:81 Formula:C17H26O3 CAS:0-00-0 MolWeight:278 RetIndex:0
CompName:Acetic acid, 3-hydroxy-7-isopropenyl-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl ester $$ (1,4a-dimethyl-3-oxidanyl-7-prop-1-en-2
100
43 95 218 HO
70 147 O
203
40 55 67 79 107 123 161 175
O

29 189 260

20 50 80 110 140 170 200 230 260 290 320 350 380 410
Hit#:4 Entry:326880 Library:WR10.lib
SI:81 Formula:C17H26O3 CAS:112-40-3 MolWeight:278 RetIndex:0
CompName:Dodecane $$ ACETIC ACID 3-HYDROXY-7-ISOPROPENYL-1,4A-DIMETHYL-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAP $$ ADAKANE 12 $$
100
43 95 218 HO
70 147 O
203
40 55 67 79 107 123 161 175
O

29 189 260

20 50 80 110 140 170 200 230 260 290 320 350 380 410
Hit#:5 Entry:56402 Library:NIST11.lib
SI:80 Formula:C16H26 CAS:0-00-0 MolWeight:218 RetIndex:1535
CompName:(1S,6R,9S)-5,5,9,10-Tetramethyltricyclo[7.3.0.0(1,6)]dodec-10(11)-ene
100
108 218
70 162
203
40 41 55 91 105 119 133 149
69 79 175 189

20 50 80 110 140 170 200 230 260 290 320 350 380 410
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 :ON
Carrier Gas Saver Split Ratio :1.0
Carrier Gas Saver Time :1.50 min
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) >
< 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 :1.0 min

[GC Program]

[GCMS-QP2010 Ultra]
IonSourceTemp :240.00 °C
Interface Temp. :300.00 °C
Solvent Cut Time :0.50 min
Detector Gain Mode :Relative to the Tuning Result
Detector Gain :1.48 kV -0.59 kV
Threshold :1000

[MS Table]
--Group 1 - Event 1--
Start Time :0.50min
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 : 27/07/2023 10:03:28 a.m.
Filament# :1
Lens1 : -0.3 V
Lens2 : -12.0 V
Lens3 : -1.6 V
Lens4 : -50.0 V
RF Gain : 4899
RF Offset : 4945
Pre-rod : -3.5 V
Detector : 1.48 kV

Ionization voltage : 70 V
Emission current : 60 uA
Main-rod : -3.5 V
Conversion dynode: -10 kV

IonSourceTemp : 230 °C
m/z : 69.00 m/z : 219.00 m/z : 502.00 Low Vacuum : <1.0e+000 Pa
Factor : 13.16 Factor : 27.48 Factor : 195.44 High Vacuum : 3.5e-004 Pa
Inten. : 557727 Inten. : 272849 Inten. : 31798 Interface Temp. : 150 °C
Ratio. : 100.00 Ratio. : 48.92 Ratio. : 5.70 Oven Temp. : 120 °C
FWHM : 0.60 FWHM : 0.61 FWHM : 0.62 Column Pressure : 49 kPa
Column Flow : 0.7 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 (554030)
100 69.00
[*10.0]

502.00
131.00
219.00
414.00

264.00
100.00
31.00 169.00 614.00

100 200 300 400 500 600


Column Performance Report
Peak# R.Time k' T.Plate HETP Tailing F. Resolution Sep. F. ID# Name
1 1.451 0.000 7125 4210.393 1.792 -- 0.000
2 1.688 0.163 1420 21131.601 0.570 1.910 0.000
3 2.007 0.383 23331 1285.829 1.328 2.756 2.348
4 36.404 24.086 1066043 28.141 1.326 355.337 62.846
5 62.440 42.028 5189946 5.780 1.111 207.735 1.745
6 64.201 43.241 4917951 6.100 1.064 15.620 1.029
Configuration Control

<<Instrument>>
Name : Instrument1
ID : 1
Instrument Type : GCMS-QP2010
Communication : USB

<<GC Configuration>>
Name : GC-2010
GCSerial# : O20525150116 US
GCROMVersion : 2.1030
GCUnitID : GC2010 Plus
# of Analytical Lines : 1
Gas Pressure Unit : kPa
Save Monitored Value : Yes
Sampling Period : 1000.00msec
Atomosphre Compensation : No
GC System On When tuning on the power : Manual Start
System On Mode : None
Max Temp. of Oven : 400.00°C
START TIME : 0.00min
STOP TIME : 0.00min
SLEEP TIME : Not Done
FLOW OFF TIME : Not Done
CRG time : None
Relay : None
OCI/PTV Fan : None
Coolant Consumption of CRG
Column Oven : 100.00min
INJ2 : 100.00min

<<Autosampler>>

<<Injection Port>>
Name : SPL1
Injection Unit Type : SPL
Carrier Gas : He
Heater Zone : INJ1
Max Temp : 470.00°C
Flow Unit Type : AFC-2010
Flow Zone : CAR1
Slot : SLOT1
Primary Pressure : 500-900kPa
Purge Flow : 3.00mL/min
Inlet Pressure : 100kPa
Injection Port Maintenance(Septum) : 300times
Injection Port Maintenance(Insert) : 1500times

<<Column>>
Name : Rxi-1HT
Serial # : 1253493
Thickness : 0.25um
Length : 30.0m
Inside Diameter : 0.25mm
Max Usable Temp : 400°C
Installation Date : 2022/09/12
Description :

<<GC Detector>>
<<MS>>
Name : MS
Detector Type : MS
Serial # : O20525150116US
ROM Version : 1.07
Model : Dual Stage TMP (Ultra)
Manufacture Year Month : 2014-02
Unit ID :
Heater Zone : DET1
Max Temp : 350.00°C
Ion Source : EI
Ion Source Temp : 230.00°C
TMP1 : 200
TMP2 : 200
RP2 : Present
PG : Present
IG : Present
Jet Separator : None
DI : DI-2010
Vacuum Unit : Pa
Filament Time : 1000hours
Ion Source Time : 1500hours
Detector Time : 6000hours
RP Time : 15000hours
RP Oil Time : 3000hours
Baseline : 1000
Vacuum Leak(28/69) : 2.00
Intensity Ratio : +-50%
Max Mass Shift : +-0.15u
FWHM : +-0.20u
Det Gain : 2.70kV
Max Mass Shift after Tuning : +-0.15u

<<Additional Heater>>

<<Additional Flow>>

<<Other Units : 1>>


, , , , None, None

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