Sample Information

Analyzed by :Laboratorium Biosain

Sample Type : Unknown
Level # :1
Sample Name : RU04 GB
Sample ID : RU04 GB
IS Amount : [1]=1.000
Sample Amount : 1.000
Dilution Factor : 1.000
Vial # :1
Injection Volume : 1.000
Data File : C:\GCMSsolution\Data\Project1\analisa fenolik\RU04 GB.qgd
Org Data File : C:\GCMSsolution\Data\Project1\analisa fenolik\RU04 GB.qgd
Method File : C:\GCMSsolution\Data\Project1\analisa fenolik\filtrat.qgm
Org Method File : C:\GCMSsolution\Data\Project1\analisa fenolik\filtrat.qgm
Tuning File : C:\GCMSsolution\System\Tune1\novita19012022.qgt
Modified by : Admin

Method

[Comment]

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

[GC-2010]
Column Oven Temp. :80.0 °C
Injection Temp. :280.00 °C
Injection Mode :Splitless
Sampling Time :0.00 min
Flow Control Mode :Linear Velocity
Pressure :65.0 kPa
Total Flow :5.0 mL/min
Column Flow :1.00 mL/min
Linear Velocity :36.8 cm/sec
Purge Flow :3.0 mL/min
Split Ratio :1.0
High Pressure Injection :OFF
Carrier Gas Saver :ON
Carrier Gas Saver Split Ratio :5.0
Carrier Gas Saver Time :2.00 min
Oven Temp. Program
Rate Temperature(°C) Hold Time(min)
- 80.0 15.00
10.00 250.0 15.00

< 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 Plus]
IonSourceTemp :200.00 °C
Interface Temp. :280.00 °C
Solvent Cut Time :10.00 min
Detector Gain Mode :Relative
Detector Gain :0.00 kV
Threshold :1000

[MS Table]
--Group 1 - Event 1--
Start Time :10.00min
End Time :40.00min
ACQ Mode :Scan
Event Time :0.50sec
Scan Speed :1250
Start m/z :40.00
End m/z :600.00

Sample Inlet Unit :GC

[MS Program]
Use MS Program :OFF
 Chromatogram RU04 GB
intensity TIC
10,000,000

17

24
21

25
22 22
14
5

26
9

11

27

29
30
23

31
28

32
19 20
18
13
3

16
15
12
4

10
7
6
2
1

30.0 40.0
Peak Report TIC
Peak# R.Time Area Area% Height Height% Name
1 23.040 2273939 0.66 191488 0.40 5,6-DIHYDRO-4-METHYL-2H-PYRAN-2-ONE
2 23.750 2064105 0.60 208727 0.43 Oxirane, (1,1-dimethylbutyl)- (CAS) 1,2-EPOXY-3,3-DIMETHYLHEXANE
3 24.056 7603891 2.21 1429254 2.95 Dodecane, 1-chloro- (CAS) 1-Chlorododecane
4 24.260 9580267 2.79 1129725 2.33 Phenol, 4-ethenyl-2-methoxy-
5 24.662 27470947 7.99 4170697 8.61 1-Dodecanol (CAS) n-Dodecanol
6 25.491 3255777 0.95 274315 0.57 Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol
7 26.362 3920704 1.14 419046 0.87 Dodecanoic acid (CAS) Lauric acid
8 26.767 4266610 1.24 914528 1.89 Tetradecane, 1-chloro- (CAS) Myristyl chloride
9 27.223 15063928 4.38 2843909 5.87 1-Tetradecanol (CAS) Alfol 14
10 27.862 3184536 0.93 666978 1.38 Ethanol, 2-(dodecyloxy)- (CAS) DODECOXYETHANOL
11 28.335 13238451 3.85 2533710 5.23 Ethanone, 1-(3,4-dimethoxyphenyl)- (CAS) Acetoveratrone
12 28.602 4627142 1.35 680938 1.41 Tetradecanoic acid (CAS) Myristic acid
13 28.936 16196016 4.71 820965 1.70 Benzoic acid, 4-hydroxy- (CAS) p-Hydroxybenzoic acid
14 29.721 23118853 6.73 4217682 8.71 Hexadecanoic acid, methyl ester (CAS) Methyl palmitate
15 29.890 1506212 0.44 350422 0.72 Phenol, 2,6-dimethoxy-4-(2-propenyl)- (CAS) 4-Allyl-2,6-dimethoxyphenol
16 29.999 2011353 0.59 385518 0.80 Ethanol, 2-(octadecyloxy)- (CAS) 2-OCTADECYLOXY ETHANOL
17 30.646 55162266 16.05 6178085 12.76 Hexadecanoic acid (CAS) Palmitic acid
18 31.020 2347930 0.68 321813 0.66 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy- (CAS) Coniferyl alcohol
19 31.081 1093905 0.32 334338 0.69 TRIDECANE, 4-CYCLOHEXYL-
20 31.157 3796599 1.10 704150 1.45 DECYLDIGLYCOL
21 31.637 27287513 7.94 4816070 9.95 17-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-17-ENOATE
22 31.806 17986816 5.23 3753132 7.75 9,12-Octadecadienoic acid (Z,Z)-, methyl ester (CAS) Methyl linoleate
23 32.075 2121439 0.62 373726 0.77 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- (CAS) Methyl linolenate
24 32.549 40121946 11.67 4543868 9.39 9-Octadecenoic acid (Z)- (CAS) Oleic acid
25 32.749 37319258 10.86 4276569 8.83 Bombykol
26 33.088 5685996 1.65 537479 1.11 11,14,17-Eicosatrienoic acid, methyl ester (CAS) METHYL-11,14,17-EICOSATRIENOATE
27 33.609 3012276 0.88 335201 0.69 Eicosanoic acid, methyl ester (CAS) Arachidic acid methyl ester
28 34.366 552696 0.16 116526 0.24 d-Nerolidol
29 34.503 1427029 0.42 245039 0.51 DECYLTETRAGLYCOL
30 34.842 2017970 0.59 242132 0.50 Hexadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester (CAS) DIPALMIT
31 37.326 2779840 0.81 242451 0.50 Docosane (CAS) n-Docosane
32 39.505 1622491 0.47 156135 0.32 Nonacosane (CAS) n-Nonacosane
343718701 100.00 48414616 100.00

Library
<< Target >>
Line#:1 R.Time:23.042(Scan#:1566) MassPeaks:46
RawMode:Averaged 23.033-23.050(1565-1567) BasePeak:82.10(59217)
BG Mode:Calc. from Peak Group 1 - Event 1
100 82

54
91 120

40 65
103 126

10 20 30 40 50 60 70 80 90 100 110 120 130

Hit#:1 Entry:11157 Library:WILEY7.LIB
SI:81 Formula:C6 H8 O2 CAS:2381-87-5 MolWeight:112 RetIndex:0
CompName:5,6-DIHYDRO-4-METHYL-2H-PYRAN-2-ONE $$ 2H-Pyran-2-one, 5,6-dihydro-4-methyl- (CAS) Mevalonic lactone, .DELTA.2-anhydro- $$
100 82

39 O Me
54
27 112
O
67
13 84 111

10 20 30 40 50 60 70 80 90 100 110 120 130

Hit#:2 Entry:118242 Library:WILEY7.LIB
SI:74 Formula:C14 H18 O2 CAS:42436-07-7 MolWeight:218 RetIndex:0
CompName:CIS 3-HEXENYL PHENYL ACETATE $$ CIS-3-HEXENYLPHENYL ACETATE $$ CIS 3 HEXENYL PHENYL ACETATE $$ cis-3-Hexenyl phenyl acetate $$ Benzeneaceti
100 82
91

67

41
55
27 105 119 137

10 20 30 40 50 60 70 80 90 100 110 120 130

Hit#:3 Entry:118260 Library:WILEY7.LIB
SI:74 Formula:C14 H18 O2 CAS:0-00-0 MolWeight:218 RetIndex:0
CompName:Z-3-hexenyl phenylacetate $$ CIS-3-HEXENYL PHENYLACETATE $$
100 82
91

67

41
55
39
101 119 137

10 20 30 40 50 60 70 80 90 100 110 120 130

Hit#:4 Entry:118259 Library:WILEY7.LIB
SI:73 Formula:C14 H18 O2 CAS:0-00-0 MolWeight:218 RetIndex:0
CompName:Z-3-hexenyl phenylacetate $$ CIS-3-HEXENYL PHENYLACETATE $$
100 82
91

67

41
55
27 101 119 129

10 20 30 40 50 60 70 80 90 100 110 120 130

Hit#:5 Entry:2403 Library:WILEY7.LIB
SI:72 Formula:C5 H6 O CAS:930-30-3 MolWeight:82 RetIndex:0
CompName:2-Cyclopenten-1-one (CAS) Cyclopentenone $$ 2-Cyclopentenone $$ 3-Cyclopenten-2-one $$ Cyclopenten-3-one $$ 2-Cyclopentenone-1 $$
100 82
39

O
27 54

56
24 84

10 20 30 40 50 60 70 80 90 100 110 120 130

<< Target >>
Line#:2 R.Time:23.750(Scan#:1651) MassPeaks:58
RawMode:Averaged 23.742-23.758(1650-1652) BasePeak:69.10(38958)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69

41
43 70
98
86
40 114 128 144

10 20 30 40 50 60 70 80 90 100 110 120 130 140

Hit#:1 Entry:19972 Library:WILEY7.LIB
SI:81 Formula:C8 H16 O CAS:53907-76-9 MolWeight:128 RetIndex:0
CompName:Oxirane, (1,1-dimethylbutyl)- (CAS) 1,2-EPOXY-3,3-DIMETHYLHEXANE $$
100 69

55 O
41

70
85 98 CPrMe 2
113 128

10 20 30 40 50 60 70 80 90 100 110 120 130 140

Hit#:2 Entry:12393 Library:WILEY7.LIB
SI:80 Formula:C6 H10 O2 CAS:97-63-2 MolWeight:114 RetIndex:0
CompName:2-Propenoic acid, 2-methyl-, ethyl ester (CAS) Ethyl methacrylate $$ Ethyl 2-methylacrylate $$ Ethyl 2-methyl-2-propenoate $$ Methacrylic ac
100 69
41

Et O C(O) CMe CH 2
43 86 99 114
27 71

10 20 30 40 50 60 70 80 90 100 110 120 130 140

Hit#:3 Entry:22041 Library:WILEY7.LIB
SI:80 Formula:C8 H18 O CAS:18720-62-2 MolWeight:130 RetIndex:0
CompName:3-Heptanol, 2-methyl- (CAS) 2-Methyl-3-heptanol $$ 2-Methylheptanol-(3) $$
100 69
41

27 43
Me (CH 2 ) 3 CH(OH) CHMe 2
73
87
112 128
14

10 20 30 40 50 60 70 80 90 100 110 120 130 140

Hit#:4 Entry:45939 Library:WILEY7.LIB
SI:80 Formula:C9 H16 O2 CAS:2849-98-1 MolWeight:156 RetIndex:0
CompName:2-Propenoic acid, 2-methyl-, pentyl ester (CAS) n-Amyl methacrylate $$ Amyl methacrylate $$ Pentyl 2-methyl-2-propenoate $$ Methacrylic acid, pentyl ester $$ methacrylic acid
100 41 69

70
87 Me (CH 2 ) 4 OC(O) CMe CH 2
42

27
15 100 113 129

10 20 30 40 50 60 70 80 90 100 110 120 130 140

Hit#:5 Entry:32806 Library:WILEY7.LIB
SI:79 Formula:C8 H16 O2 CAS:0-00-0 MolWeight:144 RetIndex:0
CompName:Heptyl formate (probably 2-ethylpentyl formate) $$
100 41 69

27

43 87
98
70 115
26

10 20 30 40 50 60 70 80 90 100 110 120 130 140

<< Target >>
Line#:3 R.Time:24.058(Scan#:1688) MassPeaks:74
RawMode:Averaged 24.050-24.067(1687-1689) BasePeak:43.10(194172)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 57 91

41

71
105
40 119 133 141

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:100592 Library:WILEY7.LIB
SI:97 Formula:C12 H25 CL CAS:112-52-7 MolWeight:204 RetIndex:0
CompName:Dodecane, 1-chloro- (CAS) 1-Chlorododecane $$ Lauryl chloride $$ Dodecyl chloride $$ n-Dodecyl chloride $$ 1-CHLORDODECAN $$
100 43
57 91

41
Me (CH 2 ) 11 Cl
71
27 105
119 133 168 204

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:50274 Library:WILEY7.LIB
SI:96 Formula:C10 H11 N O CAS:1611-83-2 MolWeight:161 RetIndex:0
CompName:2-Propenamide, 2-methyl-N-phenyl- $$ N-Phenylmethacrylamide $$ N-PHENYL-METHACRYLIC ACID AMIDE $$ Acrylanilide, 2-methyl- $$ Methacrylanilide $$ 2-Methyl-N
100 43 57 91
41
NH CO CMe CH 2

71
105
27
119 133

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:100593 Library:WILEY7.LIB
SI:96 Formula:C12 H25 CL CAS:112-52-7 MolWeight:204 RetIndex:0
CompName:Dodecane, 1-chloro- (CAS) 1-Chlorododecane $$ Lauryl chloride $$ Dodecyl chloride $$ n-Dodecyl chloride $$ 1-CHLORDODECAN $$
100 43
57

41 91

Me (CH 2 ) 11 Cl
71

105
35 119 133

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:4 Entry:100591 Library:WILEY7.LIB
SI:94 Formula:C12 H25 CL CAS:112-52-7 MolWeight:204 RetIndex:0
CompName:Dodecane, 1-chloro- (CAS) 1-Chlorododecane $$ Lauryl chloride $$ Dodecyl chloride $$ n-Dodecyl chloride $$ 1-CHLORDODECAN $$
100 43 57 91

41

71 Me (CH 2 ) 11 Cl
105
27
119 133

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:5 Entry:67132 Library:WILEY7.LIB
SI:94 Formula:C10 H21 CL CAS:1002-69-3 MolWeight:176 RetIndex:0
CompName:Decane, 1-chloro- (CAS) 1-Chlorodecane $$ Decyl chloride $$ n-Decyl chloride $$ 1-CHLORDECAN $$
100 43
91
41

57 Me (CH 2 ) 9 Cl
27
71
105
112

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:4 R.Time:24.258(Scan#:1712) MassPeaks:82
RawMode:Averaged 24.250-24.267(1711-1713) BasePeak:150.15(155723)
BG Mode:Calc. from Peak Group 1 - Event 1
100 150
135
77
107

41 97
51
63
40 125

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:1 Entry:37587 Library:WILEY7.LIB
SI:81 Formula:C9 H10 O2 CAS:7786-61-0 MolWeight:150 RetIndex:0
CompName:Phenol, 4-ethenyl-2-methoxy- $$
100 150
135

107
77

39 51 63 89
29 121

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:2 Entry:37542 Library:WILEY7.LIB
SI:77 Formula:C9 H10 O2 CAS:0-00-0 MolWeight:150 RetIndex:0
CompName:4-vinyl-2-methoxy-phenol $$
100 150
135

77
107
39 51
29 63

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:3 Entry:37849 Library:WILEY7.LIB
SI:77 Formula:C10 H14 O CAS:0-00-0 MolWeight:150 RetIndex:0
CompName:4-Methyl-2-(3-methyl-2-butenyl)-furan $$
100 150

135
91
41 107
79
53 67

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:4 Entry:38495 Library:WILEY7.LIB
SI:75 Formula:C9 H10 O2 CAS:586-37-8 MolWeight:150 RetIndex:0
CompName:3-Methoxyacetophenone $$ Ethanone, 1-(3-methoxyphenyl)- (CAS) Acetophenone, 3'-methoxy- $$ 3-Acetylanisole $$ 1-Acetyl-3-methoxyben
100 135

Ac OMe
77 150
107

92
63
50
45 119

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:5 Entry:38475 Library:WILEY7.LIB
SI:75 Formula:C9 H10 O2 CAS:1450-72-2 MolWeight:150 RetIndex:0
CompName:Ethanone, 1-(2-hydroxy-5-methylphenyl)- (CAS) 1-Hydroxy-2-acetyl-4-methylbenzene $$ 2-Hydroxy-5-methylacetophenone $$ 2'-Hydroxy-5'-
100 135
Ac Me
150

43
77 107
15 39 HO
67
14 91

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

<< Target >>
Line#:5 R.Time:24.658(Scan#:1760) MassPeaks:72
RawMode:Averaged 24.650-24.667(1759-1761) BasePeak:55.15(448465)
BG Mode:Calc. from Peak Group 1 - Event 1
100 55
41
83

97

98
40 112 140
126 164 168

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160

Hit#:1 Entry:79259 Library:WILEY7.LIB
SI:97 Formula:C12 H26 O CAS:112-53-8 MolWeight:186 RetIndex:0
CompName:1-Dodecanol (CAS) n-Dodecanol $$ CO 12 $$ S 1298 $$ Dodecanol $$ Pisol $$ Alfol 12 $$ Sipol L 12 $$ Lauryl 24 $$ Siponol 25 $$ Siponol
100 55
41 69
70

97 Me (CH 2 ) 11 OH
111
27
112 140
126 168

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160

Hit#:2 Entry:79256 Library:WILEY7.LIB
SI:97 Formula:C12 H26 O CAS:112-53-8 MolWeight:186 RetIndex:0
CompName:1-Dodecanol (CAS) n-Dodecanol $$ CO 12 $$ S 1298 $$ Dodecanol $$ Pisol $$ Alfol 12 $$ Sipol L 12 $$ Lauryl 24 $$ Siponol 25 $$ Siponol
100 55
41 69
70

97 Me (CH 2 ) 11 OH
111
27
112 140
126 168

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160

Hit#:3 Entry:63450 Library:WILEY7.LIB
SI:96 Formula:C11 H24 O CAS:112-42-5 MolWeight:172 RetIndex:0
CompName:1-Undecanol (CAS) n-Undecanol $$ 1-Hendecanol $$ n-Undecan-1-ol $$ Undecyl alcohol $$ Hendecyl alcohol $$ n-Undecyl alcohol $$ Hende
100 55
70
41

84 Me (CH 2 ) 10 OH
98
39 125 154

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160

Hit#:4 Entry:58935 Library:WILEY7.LIB
SI:96 Formula:C12 H24 CAS:294-62-2 MolWeight:168 RetIndex:0
CompName:Cyclododecane (CAS) CYCLODODECAN $$
100 55
41 69
83

97

111
27
112 140 168
126

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160

Hit#:5 Entry:58330 Library:WILEY7.LIB
SI:96 Formula:C12 H24 CAS:74663-85-7 MolWeight:168 RetIndex:0
CompName:Cyclopropane, nonyl- (CAS)
100 55

41 70

97 (CH 2 ) 8 Me
27
98
112 140
126 168

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160

<< Target >>
Line#:6 R.Time:25.492(Scan#:1860) MassPeaks:85
RawMode:Averaged 25.483-25.500(1859-1861) BasePeak:154.10(23908)
BG Mode:Calc. from Peak Group 1 - Event 1
100 154
93
110
139
53 65 81

41
144
40 124

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:1 Entry:43411 Library:WILEY7.LIB
SI:82 Formula:C8 H10 O3 CAS:91-10-1 MolWeight:154 RetIndex:0
CompName:Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol $$ DIMETHOXY PHENOL $$ Syringol $$ Pyrogallol 1,3-dimethyl ether $$ 1,3-Dimetho
100 154
OH
139
93 Me O OMe
39 111
15 65
51
79
14 125 140

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:2 Entry:43412 Library:WILEY7.LIB
SI:81 Formula:C8 H10 O3 CAS:91-10-1 MolWeight:154 RetIndex:0
CompName:Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol $$ DIMETHOXY PHENOL $$ Syringol $$ Pyrogallol 1,3-dimethyl ether $$ 1,3-Dimetho
100 154
139
OH
93
65 111
Me O OMe
39
51
79
140
37 125

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:3 Entry:42312 Library:WILEY7.LIB
SI:76 Formula:C8 H10 O3 CAS:13330-65-9 MolWeight:154 RetIndex:0
CompName:2,4-DIMETHOXY-PHENOL $$
100 139 154

111
53 79 96
69 140
39
26 112

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:4 Entry:43415 Library:WILEY7.LIB
SI:73 Formula:C8 H10 O3 CAS:2033-89-8 MolWeight:154 RetIndex:0
CompName:Phenol, 3,4-dimethoxy- (CAS) 3,4-Dimethoxyphenol $$ 3,4-DIMETHOXY-PHENOL $$
100 154
139 OMe
OMe
111

55 69 93
81 OH
40 112 140

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

Hit#:5 Entry:43409 Library:WILEY7.LIB
SI:72 Formula:C8 H10 O3 CAS:91-10-1 MolWeight:154 RetIndex:0
CompName:Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol $$ DIMETHOXY PHENOL $$ Syringol $$ Pyrogallol 1,3-dimethyl ether $$ 1,3-Dimetho
100 154
OH
Me O139 OMe

93 111
39 65
51 79
15 27 125 140

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150

<< Target >>
Line#:7 R.Time:26.358(Scan#:1964) MassPeaks:101
RawMode:Averaged 26.350-26.367(1963-1965) BasePeak:60.10(35350)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 60 73

41

85
129 164
101 115 149
40 171 200

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:95897 Library:WILEY7.LIB
SI:85 Formula:C12 H24 O2 CAS:143-07-7 MolWeight:200 RetIndex:0
CompName:Dodecanoic acid (CAS) Lauric acid $$ Abl $$ Neo-fat 12 $$ Vulvic acid $$ Univol u-314 $$ Aliphat no. 4 $$ Neo-fat 12-43 $$ Dodecylic acid $$ Ninol aa62 extra $$ Laurostearic
100 60 73

41

HO 2 C (CH 2 ) 10 Me
27 85 129
157 200
101 115
143 171

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:95899 Library:WILEY7.LIB
SI:85 Formula:C12 H24 O2 CAS:143-07-7 MolWeight:200 RetIndex:0
CompName:Dodecanoic acid (CAS) Lauric acid $$ Abl $$ Neo-fat 12 $$ Vulvic acid $$ Univol u-314 $$ Aliphat no. 4 $$ Neo-fat 12-43 $$ Dodecylic acid $$ Ninol aa62 extra $$ Laurostearic
100 60 73

41

HO 2 C (CH 2 ) 10 Me
27 85 129
115 157 200
101 143 171

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:95891 Library:WILEY7.LIB
SI:85 Formula:C12 H24 O2 CAS:143-07-7 MolWeight:200 RetIndex:0
CompName:Dodecanoic acid (CAS) Lauric acid $$ Abl $$ Neo-fat 12 $$ Vulvic acid $$ Univol u-314 $$ Aliphat no. 4 $$ Neo-fat 12-43 $$ Dodecylic acid $$ Ninol aa62 extra $$ Laurostearic
100 60 73

43
41
HO 2 C (CH 2 ) 10 Me
85 129
157 200
27 101 115
143 171

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:4 Entry:95892 Library:WILEY7.LIB
SI:85 Formula:C12 H24 O2 CAS:143-07-7 MolWeight:200 RetIndex:0
CompName:Dodecanoic acid (CAS) Lauric acid $$ ABL $$ Neo-Fat 12 $$ Vulvic acid $$ Univol U-314 $$ Aliphat No. 4 $$ Neo-Fat 12-43 $$ Dodecylic a
100 60 73
41

27 HO 2 C (CH 2 ) 10 Me
85 129
101 115 157 200
140 171

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:5 Entry:95894 Library:WILEY7.LIB
SI:85 Formula:C12 H24 O2 CAS:143-07-7 MolWeight:200 RetIndex:0
CompName:Dodecanoic acid (CAS) Lauric acid $$ Abl $$ Neo-fat 12 $$ Vulvic acid $$ Univol u-314 $$ Aliphat no. 4 $$ Neo-fat 12-43 $$ Dodecylic acid $$ Ninol aa62 extra $$ Laurostearic
100 60 73

43
41
HO 2 C (CH 2 ) 10 Me
85 129
157 200
27 101 115
143 171

10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:8 R.Time:26.767(Scan#:2013) MassPeaks:93
RawMode:Averaged 26.758-26.775(2012-2014) BasePeak:57.15(122750)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 57
91

41
71

105
40 119 135 147 162 168

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:1 Entry:136118 Library:WILEY7.LIB
SI:95 Formula:C14 H29 CL CAS:2425-54-9 MolWeight:232 RetIndex:0
CompName:Tetradecane, 1-chloro- (CAS) Myristyl chloride $$ 1-Chlorotetradecane $$ Tetradecyl chloride $$ n-Tetradecyl chloride $$
100 43 57

91
71 Me (CH 2 ) 13 Cl
41

105
27 119 133 147 161 232

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:2 Entry:100592 Library:WILEY7.LIB
SI:95 Formula:C12 H25 CL CAS:112-52-7 MolWeight:204 RetIndex:0
CompName:Dodecane, 1-chloro- (CAS) 1-Chlorododecane $$ Lauryl chloride $$ Dodecyl chloride $$ n-Dodecyl chloride $$ 1-CHLORDODECAN $$
100 43
57 91

41
Me (CH 2 ) 11 Cl
71
27 105
119 133 168 204

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:3 Entry:100593 Library:WILEY7.LIB
SI:95 Formula:C12 H25 CL CAS:112-52-7 MolWeight:204 RetIndex:0
CompName:Dodecane, 1-chloro- (CAS) 1-Chlorododecane $$ Lauryl chloride $$ Dodecyl chloride $$ n-Dodecyl chloride $$ 1-CHLORDODECAN $$
100 43
57

41 91

Me (CH 2 ) 11 Cl
71

105
35 119 133

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:4 Entry:136119 Library:WILEY7.LIB
SI:94 Formula:C14 H29 CL CAS:2425-54-9 MolWeight:232 RetIndex:0
CompName:Tetradecane, 1-chloro- (CAS) Myristyl chloride $$ 1-Chlorotetradecane $$ Tetradecyl chloride $$ n-Tetradecyl chloride $$
100 57
43
91
71
41 Me (CH 2 ) 13 Cl
105
27 119 133 147

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:5 Entry:168855 Library:WILEY7.LIB
SI:94 Formula:C16 H33 CL CAS:4860-03-1 MolWeight:260 RetIndex:0
CompName:Hexadecane, 1-chloro- (CAS) 1-Chlorohexadecane $$ Cetyl chloride $$ Hexadecyl chloride $$ Palmityl chloride $$ 1-Chloro-hexadecane $$ n-Hexadecyl chloride $$ 1-CHLORH
100 43 57

41 71
Me (CH 2 ) 15 Cl
91

105
36 119 133 147 161

20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
<< Target >>
Line#:9 R.Time:27.225(Scan#:2068) MassPeaks:93
RawMode:Averaged 27.217-27.233(2067-2069) BasePeak:55.10(276864)
BG Mode:Calc. from Peak Group 1 - Event 1
100 55 83
41 57
97

98
40 112 126 140 162 196 213 273 315 351

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350
Hit#:1 Entry:113622 Library:WILEY7.LIB
SI:96 Formula:C14 H30 O CAS:112-72-1 MolWeight:214 RetIndex:0
CompName:1-Tetradecanol (CAS) Alfol 14 $$ Tetradecanol $$ Loxanol V $$ Lanette K $$ Lanette Wax KS $$ n-Tetradecanol $$ Myristic alcohol $$ Myristyl alcohol $$ n-Tetradecan-1-ol $$
100 43
41 69 83

97 Me (CH 2 ) 13 OH
111
27
126 140 168
196

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350
Hit#:2 Entry:113613 Library:WILEY7.LIB
SI:96 Formula:C14 H30 O CAS:112-72-1 MolWeight:214 RetIndex:0
CompName:1-Tetradecanol (CAS) Alfol 14 $$ Tetradecanol $$ Loxanol V $$ Lanette K $$ Lanette Wax KS $$ n-Tetradecanol $$ Myristic alcohol $$ Myristyl alcohol $$ n-Tetradecan-1-ol $$
100 55
41 69 83

97
Me (CH 2 ) 13 OH
111
27 112
126 140 168 196
154

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350
Hit#:3 Entry:148418 Library:WILEY7.LIB
SI:96 Formula:C16 H34 O CAS:36653-82-4 MolWeight:242 RetIndex:0
CompName:1-Hexadecanol (CAS) Cetal $$ Ethal $$ Ethol $$ Cetanol $$ Cetylol $$ Adol 52 $$ Lanol C $$ Adol 54 $$ Lorol 24 $$ Alfol 16 $$ Aldol 54 $$
100 43
57
41 83

97
Me (CH 2 ) 15 OH
111
27 112 126 140 154 196
168 224

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350
Hit#:4 Entry:113620 Library:WILEY7.LIB
SI:96 Formula:C14 H30 O CAS:112-72-1 MolWeight:214 RetIndex:0
CompName:1-Tetradecanol (CAS) Alfol 14 $$ Tetradecanol $$ Loxanol V $$ Lanette K $$ Lanette Wax KS $$ n-Tetradecanol $$ Myristic alcohol $$ Myristyl alcohol $$ n-Tetradecan-1-ol $$
100 41 55
69
83

97
Me (CH 2 ) 13 OH
27 111
126 140 168
154 196

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350
Hit#:5 Entry:113617 Library:WILEY7.LIB
SI:96 Formula:C14 H30 O CAS:112-72-1 MolWeight:214 RetIndex:0
CompName:1-Tetradecanol (CAS) Alfol 14 $$ Tetradecanol $$ Loxanol V $$ Lanette K $$ Lanette Wax KS $$ n-Tetradecanol $$ Myristic alcohol $$ Myristyl alcohol $$ n-Tetradecan-1-ol $$
100 43 57
41 83

97
Me (CH 2 ) 13 OH
111
27 112
126 140 168 196
154

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350
<< Target >>
Line#:10 R.Time:27.858(Scan#:2144) MassPeaks:99
RawMode:Averaged 27.850-27.867(2143-2145) BasePeak:57.15(96155)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57

43
71
41 85

111
40 127 140 154 168 182 199 315 351 387

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:133808 Library:WILEY7.LIB
SI:94 Formula:C14 H30 O2 CAS:4536-30-5 MolWeight:230 RetIndex:0
CompName:Ethanol, 2-(dodecyloxy)- (CAS) DODECOXYETHANOL $$ 2-Dodecyloxyethanol $$ Laureth-1 $$ Lipocol l-1 $$ Lauryl ethoxylate $$ 2-(Dod
100 57
43

71
41 HO CH 2 CH 2 O(CH 2 ) 11 Me
85

27 111 140
127 168 199

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:133271 Library:WILEY7.LIB
SI:92 Formula:C14 H30 O2 CAS:29718-44-3 MolWeight:230 RetIndex:0
CompName:1-Dodecanol, ethoxy- $$
100 57

43
71

41 85

111
18 140 168
113 199
127

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:133807 Library:WILEY7.LIB
SI:92 Formula:C14 H30 O2 CAS:4536-30-5 MolWeight:230 RetIndex:0
CompName:Ethanol, 2-(dodecyloxy)- (CAS) DODECOXYETHANOL $$ 2-Dodecyloxyethanol $$ Laureth-1 $$ Lipocol l-1 $$ Lauryl ethoxylate $$ 2-(Dod
100 57

43
71

85
HO CH 2 CH 2 O(CH 2 ) 11 Me
41
111
18 140 168
113 199
127

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:166692 Library:WILEY7.LIB
SI:91 Formula:C16 H34 O2 CAS:2136-70-1 MolWeight:258 RetIndex:0
CompName:Ethanol, 2-(tetradecyloxy)- (CAS) 2-Tetradecyloxyethanol $$ Myristyl monoethoxylate $$ Ethylene glycol monotetradecyl ether $$
100 57
43
71
41
HO CH 2 CH 2 O(CH 2 ) 13 Me
85
168
27 111 196
125 141 227

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:224898 Library:WILEY7.LIB
SI:91 Formula:C20 H42 O2 CAS:2136-72-3 MolWeight:314 RetIndex:0
CompName:Ethanol, 2-(octadecyloxy)- (CAS) 2-OCTADECYLOXY ETHANOL $$ 2-Octadecoxyethanol $$ 2-Octadecyloxyethanol $$ Ethylene glycol monooctadecyl ether $$
100 57
43
71
41 85 HO CH 2 CH 2 O(CH 2 ) 17 Me

111
27
127 141 155 169 224 252 283

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:11 R.Time:28.333(Scan#:2201) MassPeaks:145
RawMode:Averaged 28.325-28.342(2200-2202) BasePeak:180.10(386175)
BG Mode:Calc. from Peak Group 1 - Event 1
100 180

165
91
77 137
51 65 122
40 105
150 182 217 228 273 317 351 384 393 425

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:1 Entry:71827 Library:WILEY7.LIB
SI:75 Formula:C10 H12 O3 CAS:1131-62-0 MolWeight:180 RetIndex:0
CompName:Ethanone, 1-(3,4-dimethoxyphenyl)- (CAS) Acetoveratrone $$ 3',4'-Dimethoxyacetophenone $$ Acetophenone, 3',4'-dimethoxy- $$ 3,4-Dimeth
100 165
OMe

77
180 OMe
43 137
122
Ac
94 107
40 57 151

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:2 Entry:71828 Library:WILEY7.LIB
SI:74 Formula:C10 H12 O3 CAS:1131-62-0 MolWeight:180 RetIndex:0
CompName:Ethanone, 1-(3,4-dimethoxyphenyl)- (CAS) Acetoveratrone $$ 3',4'-Dimethoxyacetophenone $$ Acetophenone, 3',4'-dimethoxy- $$ 3,4-Dimeth
100 165
OMe
180

OMe
43 137 Ac
77
39 63 94 107 122
149 182

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:3 Entry:71826 Library:WILEY7.LIB
SI:74 Formula:C10 H12 O3 CAS:1131-62-0 MolWeight:180 RetIndex:0
CompName:Ethanone, 1-(3,4-dimethoxyphenyl)- (CAS) Acetoveratrone $$ 3',4'-Dimethoxyacetophenone $$ Acetophenone, 3',4'-dimethoxy- $$ 3,4-Dimeth
100 165
OMe
180

OMe
137 Ac
43 77
39 63 94 107 122
149 182

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:4 Entry:71885 Library:WILEY7.LIB
SI:73 Formula:C11 H16 O2 CAS:25013-16-5 MolWeight:180 RetIndex:0
CompName:Phenol, (1,1-dimethylethyl)-4-methoxy- (CAS) Butylated hydroxyanisole $$ BHA $$ T-BUTYLHYDROXYANISOLE $$ Protex $$ Embanox
100 165
OMe

137 180
HO

41 51 77 91 D1 Bu-t
65 107 124 149

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:5 Entry:70635 Library:WILEY7.LIB
SI:73 Formula:C10 H12 O3 CAS:34883-12-0 MolWeight:180 RetIndex:0
CompName:Benzaldehyde, 6-hydroxy-4-methoxy-2,3-dimethyl- (CAS) 2-HYDROXY-4-METHOXY-5,6-DIMETHYLBENZALDEHYDE $$
100 180
HO OMe

O CH Me
39
51 69 77 91 165 Me
107 121 136 151

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
<< Target >>
Line#:12 R.Time:28.600(Scan#:2233) MassPeaks:111
RawMode:Averaged 28.592-28.608(2232-2234) BasePeak:73.10(56653)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 60 73
41

85 129
98 115 143 171 185 228
40 157 199 273 301 315 328 351 384 393 425

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:1 Entry:131455 Library:WILEY7.LIB
SI:94 Formula:C14 H28 O2 CAS:544-63-8 MolWeight:228 RetIndex:0
CompName:Tetradecanoic acid (CAS) Myristic acid $$ MYRISTINIC ACID $$ n-Tetradecanoic acid $$ neo-Fat 14 $$ Univol U 316S $$ n-Tetradecoic aci
100 43 60 73
41

HO 2 C (CH 2 ) 12 Me
129
27 85 185 228
98 115 171
143 157 214

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:2 Entry:131451 Library:WILEY7.LIB
SI:94 Formula:C14 H28 O2 CAS:544-63-8 MolWeight:228 RetIndex:0
CompName:Tetradecanoic acid (CAS) Myristic acid $$ MYRISTINIC ACID $$ n-Tetradecanoic acid $$ neo-Fat 14 $$ Univol U 316S $$ n-Tetradecoic aci
100 60 73
43
41

HO 2 C (CH 2 ) 12 Me
129
27 85 185 228
98 115 143 166

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:3 Entry:131449 Library:WILEY7.LIB
SI:94 Formula:C14 H28 O2 CAS:544-63-8 MolWeight:228 RetIndex:0
CompName:Tetradecanoic acid (CAS) Myristic acid $$ MYRISTINIC ACID $$ n-Tetradecanoic acid $$ neo-Fat 14 $$ Univol U 316S $$ n-Tetradecoic aci
100 60 73
41

29 129 HO 2 C (CH 2 ) 12 Me
228
85 185
98 115 143
166 199

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:4 Entry:131447 Library:WILEY7.LIB
SI:94 Formula:C14 H28 O2 CAS:544-63-8 MolWeight:228 RetIndex:0
CompName:Tetradecanoic acid (CAS) Myristic acid $$ MYRISTINIC ACID $$ n-Tetradecanoic acid $$ neo-Fat 14 $$ Univol U 316S $$ n-Tetradecoic acid $$ 1-Tridecanecarboxylic acid $$
100 43 60 73
41

HO 2 C (CH 2 ) 12 Me
27 129
85
115 185 228
98 143 171 199

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:5 Entry:113508 Library:WILEY7.LIB
SI:92 Formula:C13 H26 O2 CAS:638-53-9 MolWeight:214 RetIndex:0
CompName:Tridecanoic acid (CAS) Tridecylic acid $$ n-Tridecanoic acid $$ n-Tridecoic acid $$
100 60 73
43
41

HO 2 C (CH 2 ) 11 Me
129
27 85
115 171
98 214
143 157 185 200

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
<< Target >>
Line#:13 R.Time:28.933(Scan#:2273) MassPeaks:96
RawMode:Averaged 28.925-28.942(2272-2274) BasePeak:121.10(101219)
BG Mode:Calc. from Peak Group 1 - Event 1
100 60 121

93 138

73
40 98 151 177 217 229 244253 273 301 316 329 352 384393 425 440

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
Hit#:1 Entry:27769 Library:WILEY7.LIB
SI:77 Formula:C7 H6 O3 CAS:99-96-7 MolWeight:138 RetIndex:0
CompName:Benzoic acid, 4-hydroxy- (CAS) p-Hydroxybenzoic acid $$ 4-Hydroxybenzoic acid $$ Paraben $$ 4-Carboxyphenol $$ p-Salicylic acid $$ para
100 121

138 CO 2 H

39 65
93 HO
53
27 81
14 110

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
Hit#:2 Entry:27766 Library:WILEY7.LIB
SI:77 Formula:C7 H6 O3 CAS:99-06-9 MolWeight:138 RetIndex:0
CompName:Benzoic acid, 3-hydroxy- (CAS) 3-Hydroxybenzoic acid $$ m-Hydroxybenzoic acid $$ 3-Carboxyphenol $$ m-Salicylic acid $$ Benzoic acid, m
100 121 138
CO 2 H

93
39 65

OH
53 81 110
31 140

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
Hit#:3 Entry:27765 Library:WILEY7.LIB
SI:75 Formula:C7 H6 O3 CAS:99-06-9 MolWeight:138 RetIndex:0
CompName:Benzoic acid, 3-hydroxy- (CAS) 3-Hydroxybenzoic acid $$ m-Hydroxybenzoic acid $$ 3-Carboxyphenol $$ m-Salicylic acid $$ Benzoic acid, m
100 138
121
CO 2 H

28
93
65
OH
55 73
14 110

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
Hit#:4 Entry:56044 Library:WILEY7.LIB
SI:73 Formula:C9 H10 O3 CAS:621-51-2 MolWeight:166 RetIndex:0
CompName:Benzoic acid, 3-ethoxy- (CAS) m-Ethoxybenzoic acid $$ 3-Ethoxybenzoic acid $$ Benzoic acid, m-ethoxy- $$
100 121 138
OEt

65 93
39 166
CO 2 H
53 81 105
26 149

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
Hit#:5 Entry:27770 Library:WILEY7.LIB
SI:73 Formula:C7 H6 O3 CAS:99-96-7 MolWeight:138 RetIndex:0
CompName:Benzoic acid, 4-hydroxy- (CAS) p-Hydroxybenzoic acid $$ 4-Hydroxybenzoic acid $$ Paraben $$ 4-Carboxyphenol $$ p-Salicylic acid $$ para
100 121
138
CO 2 H

65 93 HO
39
26 53 81 109 140

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430
<< Target >>
Line#:14 R.Time:29.717(Scan#:2367) MassPeaks:156
RawMode:Averaged 29.708-29.725(2366-2368) BasePeak:74.10(798675)
BG Mode:Calc. from Peak Group 1 - Event 1
100 74 87

43
41
57
101 115 129 143 157 171 185 199 270
40 213 227 239 255 300 316 349 369 388 398 431440

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450
Hit#:1 Entry:180432 Library:WILEY7.LIB
SI:95 Formula:C17 H34 O2 CAS:112-39-0 MolWeight:270 RetIndex:0
CompName:Hexadecanoic acid, methyl ester (CAS) Methyl palmitate $$ Methyl hexadecanoate $$ Methyl n-hexadecanoate $$ Uniphat A60 $$ Metholene 2
100 74

87

Me (CH 2 ) 14 C(O) OMe

43
41
57
27 143 227 239
15 101 115 129 171 185 199 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450
Hit#:2 Entry:180433 Library:WILEY7.LIB
SI:95 Formula:C17 H34 O2 CAS:112-39-0 MolWeight:270 RetIndex:0
CompName:Hexadecanoic acid, methyl ester (CAS) Methyl palmitate $$ Methyl hexadecanoate $$ Methyl n-hexadecanoate $$ Uniphat A60 $$ Metholene 2
100 74

87
Me (CH 2 ) 14 C(O) OMe
41
57
15 27 143 270
101 115 129 157 171 185 199 227 239

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450
Hit#:3 Entry:180451 Library:WILEY7.LIB
SI:94 Formula:C17 H34 O2 CAS:112-39-0 MolWeight:270 RetIndex:0
CompName:Hexadecanoic acid, methyl ester (CAS) Methyl palmitate $$ Methyl hexadecanoate $$ Methyl n-hexadecanoate $$ Uniphat A60 $$ Metholene 2
100 74

87

Me (CH 2 ) 14 C(O) OMe

43
41
57 143
27 101 115 129 157 171 185 199 213
227 239 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450
Hit#:4 Entry:180473 Library:WILEY7.LIB
SI:94 Formula:C17 H34 O2 CAS:5129-60-2 MolWeight:270 RetIndex:0
CompName:Pentadecanoic acid, 14-methyl-, methyl ester (CAS) METHYL 14-METHYL-PENTADECANOATE $$ 14-METHYL-PENTADECANSAEUREMETHYLESTER $$ methyl 14-
100 74

87
43 Me 2 CH (CH 2 ) 12 C(O) OMe

41
57
27 143
101 115 129 157 171 185 199 213 227 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450
Hit#:5 Entry:257015 Library:WILEY7.LIB
SI:94 Formula:C21 H38 O4 CAS:140-03-4 MolWeight:354 RetIndex:0
CompName:9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, [R-(Z)]- (CAS) Flexricin P-4 $$ Methyl 12-acetoxyoleate $$ Methyl acetyl ricinoleate $$ Methyl ricinoleate, acetate $$ Ricinol
100 74

87
OAc
Me O C(O) (CH 2 ) 7 CH CH CH 2 CH(CH 2 ) 5 Me

55
41
57 143
101 115 129 227
14 27 157 171 185 199 213 239 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450
<< Target >>
Line#:15 R.Time:29.892(Scan#:2388) MassPeaks:128
RawMode:Averaged 29.883-29.900(2387-2389) BasePeak:91.10(14010)
BG Mode:Calc. from Peak Group 1 - Event 1
100 91 194

77
119
65 105 131 151
179
53
163
40 205 219 233 244 256 300 316 331341 385 397 426 474

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:1 Entry:88335 Library:WILEY7.LIB
SI:81 Formula:C11 H14 O3 CAS:6627-88-9 MolWeight:194 RetIndex:0
CompName:Phenol, 2,6-dimethoxy-4-(2-propenyl)- (CAS) 4-Allyl-2,6-dimethoxyphenol $$ Methoxyeugenol $$ 2,6-Dimethoxy-4-allylphenol $$ Phenol, 4-allyl-2,6-dimethoxy- $$ 4-Hydroxy-
100 194

Me O CH 2 CH CH 2

91 HO
39 119 OMe
65 77 131 167 179
41 53 103 147

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:2 Entry:88334 Library:WILEY7.LIB
SI:80 Formula:C11 H14 O3 CAS:6627-88-9 MolWeight:194 RetIndex:0
CompName:Phenol, 2,6-dimethoxy-4-(2-propenyl)- (CAS) 4-Allyl-2,6-dimethoxyphenol $$ Methoxyeugenol $$ 2,6-Dimethoxy-4-allylphenol $$ Phenol, 4-allyl-2,6-dimethoxy- $$ 4-Hydroxy-
100 194

Me O CH 2 CH CH 2

91 HO
39 119 OMe
77 131
27 53 65 103 147 167 179

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:3 Entry:88333 Library:WILEY7.LIB
SI:73 Formula:C11 H14 O3 CAS:6627-88-9 MolWeight:194 RetIndex:0
CompName:Phenol, 2,6-dimethoxy-4-(2-propenyl)- (CAS) 4-Allyl-2,6-dimethoxyphenol $$ Methoxyeugenol $$ 2,6-Dimethoxy-4-allylphenol $$ Phenol, 4-allyl-2,6-dimethoxy- $$ 4-Hydroxy-
100 194

Me O CH 2 CH CH 2

HO
91 OMe
119 131 167 179
147
18 39 53 65 77 103

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:4 Entry:88316 Library:WILEY7.LIB
SI:71 Formula:C11 H14 O3 CAS:55001-09-7 MolWeight:194 RetIndex:0
CompName:Benzenepropanoic acid, 2-methoxy-, methyl ester (CAS) 3-(O-METHOXYPHENYL)-PROPIONIC ACID METHYL ESTER $$
100 91 121

CH 2 CH 2 C(O) OMe
134 194
OMe
51 65 77
105 163
41 147

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
Hit#:5 Entry:88346 Library:WILEY7.LIB
SI:70 Formula:C11 H14 O3 CAS:0-00-0 MolWeight:194 RetIndex:0
CompName:3-(2-METHOXY-5-METHYL-PHENYL)-PROPIONIC ACID $$
100 105 135

91
39 77 194
65

115 148
38

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
<< Target >>
Line#:16 R.Time:30.000(Scan#:2401) MassPeaks:109
RawMode:Averaged 29.992-30.008(2400-2402) BasePeak:57.15(41114)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57

43 71
85
41

111
40 125 142 156 168 192 213 231 244 263 284 317 331341 352 384 426 451 474
406

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:224898 Library:WILEY7.LIB
SI:93 Formula:C20 H42 O2 CAS:2136-72-3 MolWeight:314 RetIndex:0
CompName:Ethanol, 2-(octadecyloxy)- (CAS) 2-OCTADECYLOXY ETHANOL $$ 2-Octadecoxyethanol $$ 2-Octadecyloxyethanol $$ Ethylene glycol monooctadecyl ether $$
100 57
43
71
41 85 HO CH 2 CH 2 O(CH 2 ) 17 Me

111
27
127 141 155 169 224 252 283

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:197671 Library:WILEY7.LIB
SI:92 Formula:C18 H38 O2 CAS:2136-71-2 MolWeight:286 RetIndex:0
CompName:Ethanol, 2-(hexadecyloxy)- (CAS) 2-Hexadecyloxyethanol $$ 2-Hexadecoxyethanol $$ 2-HEXADECYLOXY-ETHANOL $$ Ethylene glycol monohexadecyl ether $$
100 57
43
71

41 85 HO CH 2 CH 2 O(CH 2 ) 15 Me

111
27 127 141 155 196 224 255

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:166692 Library:WILEY7.LIB
SI:92 Formula:C16 H34 O2 CAS:2136-70-1 MolWeight:258 RetIndex:0
CompName:Ethanol, 2-(tetradecyloxy)- (CAS) 2-Tetradecyloxyethanol $$ Myristyl monoethoxylate $$ Ethylene glycol monotetradecyl ether $$
100 57
43
71
41
HO CH 2 CH 2 O(CH 2 ) 13 Me
85
168
27 111 196
125 141 227

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:133808 Library:WILEY7.LIB
SI:92 Formula:C14 H30 O2 CAS:4536-30-5 MolWeight:230 RetIndex:0
CompName:Ethanol, 2-(dodecyloxy)- (CAS) DODECOXYETHANOL $$ 2-Dodecyloxyethanol $$ Laureth-1 $$ Lipocol l-1 $$ Lauryl ethoxylate $$ 2-(Dod
100 57
43

71
41 HO CH 2 CH 2 O(CH 2 ) 11 Me
85

27 111 140
127 168 199

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:197672 Library:WILEY7.LIB
SI:92 Formula:C18 H38 O2 CAS:2136-71-2 MolWeight:286 RetIndex:0
CompName:Ethanol, 2-(hexadecyloxy)- (CAS) 2-Hexadecyloxyethanol $$ 2-Hexadecoxyethanol $$ 2-HEXADECYLOXY-ETHANOL $$ Ethylene glycol monohexadecyl ether $$
100 57

43 71

85 HO CH 2 CH 2 O(CH 2 ) 15 Me
41

111
127 141 155 196 224 255
27

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:17 R.Time:30.650(Scan#:2479) MassPeaks:112
RawMode:Averaged 30.642-30.658(2478-2480) BasePeak:43.10(561066)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 60 73

41

85
129 256
98 115 157
143 171 185 213
40 199 227 239 284

20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:1 Entry:164461 Library:WILEY7.LIB
SI:93 Formula:C16 H32 O2 CAS:57-10-3 MolWeight:256 RetIndex:0
CompName:Hexadecanoic acid (CAS) Palmitic acid $$ Palmitinic acid $$ n-Hexadecoic acid $$ n-Hexadecanoic acid $$ Pentadecanecarboxylic acid $$ 1-Pentadecanecarboxylic acid $$ Prifra
100 43 60 73
41

HO 2 C256
(CH 2 ) 14 Me
129
85
27 213
98 115 157 171
143 185 227

20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:2 Entry:164459 Library:WILEY7.LIB
SI:91 Formula:C16 H32 O2 CAS:57-10-3 MolWeight:256 RetIndex:0
CompName:Hexadecanoic acid (CAS) Palmitic acid $$ Palmitinic acid $$ n-Hexadecoic acid $$ n-Hexadecanoic acid $$ Pentadecanecarboxylic acid $$ 1-Pentadecanecarboxylic acid $$ Prifra
100 43 73
60
41

HO 2 C (CH 2 ) 14 Me
129
27 85 256
98 115 157 171 213
185

20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:3 Entry:164462 Library:WILEY7.LIB
SI:91 Formula:C16 H32 O2 CAS:57-10-3 MolWeight:256 RetIndex:0
CompName:Hexadecanoic acid (CAS) Palmitic acid $$ Palmitinic acid $$ n-Hexadecoic acid $$ n-Hexadecanoic acid $$ Pentadecanecarboxylic acid $$ 1-Pentadecanecarboxylic acid $$ Prifra
100 43 73
32 60

HO 2 C (CH 2 ) 14 Me
29
85 129
98 115 213 256
157 171 185

20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:4 Entry:195568 Library:WILEY7.LIB
SI:90 Formula:C18 H36 O2 CAS:57-11-4 MolWeight:284 RetIndex:0
CompName:Octadecanoic acid (CAS) Stearic acid $$ n-Octadecanoic acid $$ PD 185 $$ NAA 173 $$ Vanicol $$ Kam 3000 $$ Kam 1000 $$ Kam 2000 $$
100 43
60 73
41

HO 2 C (CH 2 ) 16 Me
129 284
85
27 98 115 185 241
171 256
143 199 213

20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:5 Entry:195573 Library:WILEY7.LIB
SI:90 Formula:C18 H36 O2 CAS:57-11-4 MolWeight:284 RetIndex:0
CompName:Octadecanoic acid (CAS) Stearic acid $$ n-Octadecanoic acid $$ PD 185 $$ NAA 173 $$ Vanicol $$ Kam 3000 $$ Kam 1000 $$ Kam 2000 $$
100 28 43 73
60

41
HO 2 C (CH 2 ) 16 Me
85 129
98 241 284
115 185
143 171 199

20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
Line#:18 R.Time:31.017(Scan#:2523) MassPeaks:146
RawMode:Averaged 31.008-31.025(2522-2524) BasePeak:137.15(7529)
BG Mode:Calc. from Peak Group 1 - Event 1
100 137

91
77 124 180
51 65
103 147 258 322 356 370
40 161 182 196 215 235 273 289 303 341 387 405 426 441

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:71802 Library:WILEY7.LIB
SI:74 Formula:C10 H12 O3 CAS:458-35-5 MolWeight:180 RetIndex:0
CompName:Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy- (CAS) Coniferyl alcohol $$ Coniferol $$ .gamma.-Hydroxyisoeugenol $$ p-Hydroxy-m-methoxy
100 137

Me O CH CHCH 2OH
29 124 180
39 91
51 151
65 77 HO
109

163

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:70710 Library:WILEY7.LIB
SI:68 Formula:C10 H12 O3 CAS:35480-25-2 MolWeight:180 RetIndex:0
CompName:methyl ortho-methoxybenzyl acetate $$ Benzenemethanol, 2-methoxy-, acetate (CAS) o-Methoxybenzyl acetate $$
100 91

137
43
77
65 107 121
180
41 182

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:54106 Library:WILEY7.LIB
SI:65 Formula:C9 H9 D2 N O2 CAS:54410-64-9 MolWeight:165 RetIndex:0
CompName:.ALPHA.-D2-3-PHENYLPROPYLNITRITE $$ Nitrous acid, 3-phenylpropyl-1,1-d2 ester (CAS)
100 91 105

30 79 137
CH 2 CH 2 CD 2 ONO

51
65
27
121

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:71803 Library:WILEY7.LIB
SI:65 Formula:C10 H12 O3 CAS:458-35-5 MolWeight:180 RetIndex:0
CompName:Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy- (CAS) Coniferyl alcohol $$ Coniferol $$ .gamma.-Hydroxyisoeugenol $$ p-Hydroxy-m-methoxy
100 137

Me O CH CHCH 2OH
124 180
39 51 91
151
65 77 109
HO

163
182

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:39907 Library:WILEY7.LIB
SI:64 Formula:C9 H12 O2 CAS:0-00-0 MolWeight:152 RetIndex:0
CompName:1-Carboxy-5,5-dimethylcyclohexa-1,3-diene $$
100 93
77

107
39 137
65 152
27 51
119
154

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:19 R.Time:31.083(Scan#:2531) MassPeaks:161
RawMode:Averaged 31.075-31.092(2530-2532) BasePeak:57.15(5390)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57
43

71
41 85

237 322 370

99 125 311
141 166 179 203 217 242 258 273 357 387397
293 341 430 441 459

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:248377 Library:WILEY7.LIB
SI:80 Formula:C22 H46 O2 CAS:2136-73-4 MolWeight:342 RetIndex:0
CompName:Ethanol, 2-(eicosyloxy)- (CAS) 2-EICOSYLOXY ETHANOL $$ 2-Eicosanoxyethanol $$ 2-Eicosyloxyethanol $$
100 57
43
71

85 HO CH 2 CH 2 O(CH 2 ) 19 Me
41

111
27 127 141 155 170 198 252 280 311

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:224898 Library:WILEY7.LIB
SI:80 Formula:C20 H42 O2 CAS:2136-72-3 MolWeight:314 RetIndex:0
CompName:Ethanol, 2-(octadecyloxy)- (CAS) 2-OCTADECYLOXY ETHANOL $$ 2-Octadecoxyethanol $$ 2-Octadecyloxyethanol $$ Ethylene glycol monooctadecyl ether $$
100 57
43
71
41 85 HO CH 2 CH 2 O(CH 2 ) 17 Me

111
27
127 141 155 169 224 252 283

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:322800 Library:WILEY7.LIB
SI:80 Formula:C36 H74 O2 CAS:17367-10-1 MolWeight:539 RetIndex:0
CompName:Octadecane, 1-[2-(hexadecyloxy)ethoxy]- (CAS) 1-OCTADECYLOXY-2-HEXADECYLOXY-ETHANE $$ 1-(Hexadecyloxy)-2-(octadecyloxy)ethane $$ Ethane, 1-(hexadecylox
100 57
43
71

85 Me (CH 2 ) 15 O CH 2 CH 2 O(CH 2 ) 17 Me
28

111
125 224 287 315
27 141 241 253 269

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:197671 Library:WILEY7.LIB
SI:79 Formula:C18 H38 O2 CAS:2136-71-2 MolWeight:286 RetIndex:0
CompName:Ethanol, 2-(hexadecyloxy)- (CAS) 2-Hexadecyloxyethanol $$ 2-Hexadecoxyethanol $$ 2-HEXADECYLOXY-ETHANOL $$ Ethylene glycol monohexadecyl ether $$
100 57
43
71

41 85 HO CH 2 CH 2 O(CH 2 ) 15 Me

111
27 127 141 155 196 224 255

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:197672 Library:WILEY7.LIB
SI:78 Formula:C18 H38 O2 CAS:2136-71-2 MolWeight:286 RetIndex:0
CompName:Ethanol, 2-(hexadecyloxy)- (CAS) 2-Hexadecyloxyethanol $$ 2-Hexadecoxyethanol $$ 2-HEXADECYLOXY-ETHANOL $$ Ethylene glycol monohexadecyl ether $$
100 57

43 71

85 HO CH 2 CH 2 O(CH 2 ) 15 Me
41

111
127 141 155 196 224 255
27

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:20 R.Time:31.158(Scan#:2540) MassPeaks:186
RawMode:Averaged 31.150-31.167(2539-2541) BasePeak:45.10(58435)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45 57

77
41 85

111 124 166

40 138 188 199 223 237 263 273 289 311 322 349 377 401 430 440 457 475

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
Hit#:1 Entry:151982 Library:WILEY7.LIB
SI:83 Formula:C14 H30 O3 CAS:0-00-0 MolWeight:246 RetIndex:0
CompName:DECYLDIGLYCOL $$
100 71 85
43

57
41
138
99 112
155 171

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
Hit#:2 Entry:237236 Library:WILEY7.LIB
SI:82 Formula:C21 H44 O2 CAS:17367-36-1 MolWeight:328 RetIndex:0
CompName:1-Propanol, 3-(octadecyloxy)- (CAS) 3-OCTADECYLOXY PROPANOL $$ 3-Octadecyloxypropanol $$
100 77
89
57
43

Me (CH 2 ) 17 O(CH 2 ) 3 OH
41

111
27 125 269 281 311 328

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
Hit#:3 Entry:262299 Library:WILEY7.LIB
SI:82 Formula:C20 H42 O5 CAS:0-00-0 MolWeight:362 RetIndex:0
CompName:DODECYLTETRAGLYCOL $$
100 57

43
71
89

41 103
133 166
117 169 213 257
147

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
Hit#:4 Entry:209517 Library:WILEY7.LIB
SI:82 Formula:C19 H38 O2 CAS:15965-99-8 MolWeight:298 RetIndex:0
CompName:Oxirane, [(hexadecyloxy)methyl]- $$ Propane, 1,2-epoxy-3-(hexadecyloxy)- $$ (Cetyloxymethyl)oxirane $$ Cetyl glycidyl ether $$ Glycidol .alpha.-cetyl ether $$ Hexadecyl glyci
100 57

43
O
71
41
97 CH 2 O(CH 2 ) 15 Me
111
27 125 281

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
Hit#:5 Entry:241864 Library:WILEY7.LIB
SI:81 Formula:C18 H38 O5 CAS:0-00-0 MolWeight:334 RetIndex:0
CompName:DECYLTETRAGLYCOL $$
100 45

57 89

71
41
103 138
31 119 163 185

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
<< Target >>
Line#:21 R.Time:31.633(Scan#:2597) MassPeaks:159
RawMode:Averaged 31.625-31.642(2596-2598) BasePeak:74.10(481306)
BG Mode:Calc. from Peak Group 1 - Event 1
100 74 87
55

41
69
98
143 264 298
40 112 129 157 180 199 222 235

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:1 Entry:207878 Library:WILEY7.LIB
SI:91 Formula:C19 H36 O2 CAS:18654-84-7 MolWeight:296 RetIndex:0
CompName:17-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-17-ENOATE $$ METHYL CIS-OCTADECA-17-ENOATE $$
100 55 74
41
87
69
H 2 C CH (CH 2 ) 15 C(O) OMe

98 264
27 123 138 180 222

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:2 Entry:207877 Library:WILEY7.LIB
SI:90 Formula:C19 H36 O2 CAS:18654-84-7 MolWeight:296 RetIndex:0
CompName:17-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-17-ENOATE $$ METHYL CIS-OCTADECA-17-ENOATE $$
100 55 74
41

69 87
H 2 C CH (CH 2 ) 15 C(O) OMe

98 264
27 222
123 143 180

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:3 Entry:207537 Library:WILEY7.LIB
SI:88 Formula:C19 H36 O2 CAS:56554-49-5 MolWeight:296 RetIndex:0
CompName:16-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-16-ENOATE $$
100 55

41
69 74
Me O C(O) (CH 2 ) 14 CH CH Me
87

98 264
27 123 138 180 222
152

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:4 Entry:207535 Library:WILEY7.LIB
SI:87 Formula:C19 H36 O2 CAS:56554-48-4 MolWeight:296 RetIndex:0
CompName:14-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-14-ENOATE $$
100 55
41
69 74
Me O C(O) (CH 2 ) 12 CH CH Pr
87
98 264
27 125 138 152 180 222

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:5 Entry:207533 Library:WILEY7.LIB
SI:87 Formula:C19 H36 O2 CAS:56554-47-3 MolWeight:296 RetIndex:0
CompName:13-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-13-ENOATE $$
100 55

41
69 74
Me (CH 2) 3CH CH(CH 2 )11 C(O) OMe
87
98 264
27 123 138 180 222

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
Line#:22 R.Time:31.808(Scan#:2618) MassPeaks:155
RawMode:Averaged 31.800-31.817(2617-2619) BasePeak:81.10(328489)
BG Mode:Calc. from Peak Group 1 - Event 1
100 67 81
95
55
41

109
123 135 150 164 262 294
40 178 192 208 220 238 372

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:1 Entry:205817 Library:WILEY7.LIB
SI:93 Formula:C19 H34 O2 CAS:112-63-0 MolWeight:294 RetIndex:0
CompName:9,12-Octadecadienoic acid (Z,Z)-, methyl ester (CAS) Methyl linoleate $$ METHYL CIS-9,CIS-12-OCTADECADIENOATE $$ Methyl octad
100 67
81

41 55
95
Me O C(O) (CH 2 ) 7 CH CHCH 2 CH CH(CH 2 ) 4 Me

109
294
27 123 136 150 263
164

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:2 Entry:205819 Library:WILEY7.LIB
SI:93 Formula:C19 H34 O2 CAS:112-63-0 MolWeight:294 RetIndex:0
CompName:9,12-Octadecadienoic acid (Z,Z)-, methyl ester (CAS) Methyl linoleate $$ METHYL CIS-9,CIS-12-OCTADECADIENOATE $$ Methyl octad
100 67 81
95
55

Me O C(O) (CH 2 ) 7 CH CHCH 2 CH CH(CH 2 ) 4 Me

41 109

123 136 150

39 164 178 294

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:3 Entry:205831 Library:WILEY7.LIB
SI:93 Formula:C19 H34 O2 CAS:2462-85-3 MolWeight:294 RetIndex:0
CompName:OCTADECA-9,12-DIENOIC ACID METHYL ESTER $$ 9,12-OCTADECADIENOIC ACID, METHYL ESTER $$
100 67
55 81
41
95

109
27 123 136 150 164 294

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:4 Entry:205821 Library:WILEY7.LIB
SI:93 Formula:C19 H34 O2 CAS:112-63-0 MolWeight:294 RetIndex:0
CompName:9,12-Octadecadienoic acid (Z,Z)-, methyl ester (CAS) Methyl linoleate $$ METHYL CIS-9,CIS-12-OCTADECADIENOATE $$ Methyl octad
100 67
81
41 55

95 Me O C(O) (CH 2 ) 7 CH CHCH 2 CH CH(CH 2 ) 4 Me

109 294
123 150
136 164 263

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:5 Entry:205820 Library:WILEY7.LIB
SI:92 Formula:C19 H34 O2 CAS:112-63-0 MolWeight:294 RetIndex:0
CompName:9,12-Octadecadienoic acid (Z,Z)-, methyl ester (CAS) Methyl linoleate $$ METHYL CIS-9,CIS-12-OCTADECADIENOATE $$ Methyl octad
100 67
81
41 55
95
Me O C(O) (CH 2 ) 7 CH CHCH 2 CH CH(CH 2 ) 4 Me

109
27 123 136 263 294
150 164

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
Line#:23 R.Time:32.075(Scan#:2650) MassPeaks:222
RawMode:Averaged 32.067-32.083(2649-2651) BasePeak:79.10(30955)
BG Mode:Calc. from Peak Group 1 - Event 1
100 79

41 67 93
55
108

122 135
40 149 163 175 192 206 236 252 276 292 318 331 349 369 390 415 439 453 474 532

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:203787 Library:WILEY7.LIB
SI:91 Formula:C19 H32 O2 CAS:301-00-8 MolWeight:292 RetIndex:0
CompName:9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- (CAS) Methyl linolenate $$ Linolenic acid methyl ester $$ Linolenic acid, methyl ester $$ Methyl all-cis-9,12,15-octadecatrie
100 79
67
41 55
93 Me O C(O) (CH 2 ) 7 CH CH CH 2 CH CH CH 2 CH CH Et

108
39 121 135
149

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:230727 Library:WILEY7.LIB
SI:91 Formula:C21 H36 O2 CAS:55682-88-7 MolWeight:320 RetIndex:0
CompName:11,14,17-Eicosatrienoic acid, methyl ester (CAS) METHYL-11,14,17-EICOSATRIENOATE $$
100 79
41
67
55 95
Me O C(O) (CH 2 ) 9 CH CH CH 2 CH CH CH 2 CH CH Et
108

39 121
135
149

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:173249 Library:WILEY7.LIB
SI:88 Formula:C18 H32 O CAS:2774-90-5 MolWeight:264 RetIndex:0
CompName:9,12,15-Octadecatrien-1-ol (CAS) OCTADECA-9,12,15-TRIEN-1-OL $$
100 79
67
41
55
95 108 HO (CH 2) 8 CH CH CH 2 CH CHCH 2 CH CHEt

121
135 208
27 149 264

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:203793 Library:WILEY7.LIB
SI:87 Formula:C19 H32 O2 CAS:7361-80-0 MolWeight:292 RetIndex:0
CompName:9,12,15-Octadecatrienoic acid, methyl ester (CAS) Methyl 9,12,15-octadecatrienoate $$
100 79
67 95
41
55
108 Me O C(O) (CH 2 ) 7 CH CH CH 2 CH CH CH 2 CH CH Et

121 135
27 149 292
163 236 261

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:138226 Library:WILEY7.LIB
SI:87 Formula:C17 H30 CAS:74744-55-1 MolWeight:234 RetIndex:0
CompName:3-Heptadecen-5-yne, (Z)- (CAS)
100 79

93
41
55
67 Me (CH 2 ) 10 C CCH CHEt
107 135
121
27
149 234

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:24 R.Time:32.550(Scan#:2707) MassPeaks:156
RawMode:Averaged 32.542-32.558(2706-2708) BasePeak:55.10(338930)
BG Mode:Calc. from Peak Group 1 - Event 1
100 55

41 57 83
97

98

112 129 185 241 264 284

40 143 166 199 222

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
Hit#:1 Entry:193349 Library:WILEY7.LIB
SI:93 Formula:C18 H34 O2 CAS:112-80-1 MolWeight:282 RetIndex:0
CompName:9-Octadecenoic acid (Z)- (CAS) Oleic acid $$ Red oil $$ Oelsauere $$ Oleine 7503 $$ Pamolyn 100 $$ Emersol 211 $$ Vopcolene 27 $$ cis-O
100 55
69
41 83
Me (CH 2 ) 7 CH CH(CH 2 ) 7 CO 2 H
97
28
98
115 129

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
Hit#:2 Entry:193350 Library:WILEY7.LIB
SI:88 Formula:C18 H34 O2 CAS:112-80-1 MolWeight:282 RetIndex:0
CompName:9-Octadecenoic acid (Z)- (CAS) Oleic acid $$ Red oil $$ Oelsauere $$ Oleine 7503 $$ Pamolyn 100 $$ Emersol 211 $$ Vopcolene 27 $$ cis-O
100 55

41
69
Me (CH 2 ) 7 CH CH(CH 2 ) 7 CO 2 H
73
27 97
123129 185 264

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
Hit#:3 Entry:245560 Library:WILEY7.LIB
SI:87 Formula:C22 H42 O2 CAS:112-86-7 MolWeight:338 RetIndex:0
CompName:Docos-13-enoic acid $$ 13-DOCOSENOIC ACID, (Z)- $$
100 55

41
69
83
97

98
27 125 139 152

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
Hit#:4 Entry:192943 Library:WILEY7.LIB
SI:87 Formula:C18 H34 O2 CAS:0-00-0 MolWeight:282 RetIndex:0
CompName:HEPTADECENE-(8)-CARBONIC ACID-(1) $$
100 18 55
41 69
83
97
98
264
112 138 282
151

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
Hit#:5 Entry:193369 Library:WILEY7.LIB
SI:87 Formula:C18 H34 O2 CAS:112-79-8 MolWeight:282 RetIndex:0
CompName:OCTADEC-9-ENOIC ACID $$ ELAIDINSAEURE $$
100 55
41 69
83
97
98
264
27 112 138 151 222 282

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
<< Target >>
Line#:25 R.Time:32.750(Scan#:2731) MassPeaks:112
RawMode:Averaged 32.742-32.758(2730-2732) BasePeak:67.10(384955)
BG Mode:Calc. from Peak Group 1 - Event 1
100 67 81
95

55
41
109
123 136 150 164 182 196 210 224 238 262 279 295 355 430

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:1 Entry:143860 Library:WILEY7.LIB
SI:89 Formula:C16 H30 O CAS:765-17-3 MolWeight:238 RetIndex:0
CompName:Bombykol $$ E-10, Z-12-Hexadecadien-1-ol $$ 10,12-Hexadecadien-1-ol, (Z,E)- (CAS) Bombycol $$ 10,12-Hexadecadien-1-ol, (E,Z)- $$
100 67
81

41 96 HO (CH 2 ) 9 CH CH CH CH Pr
55

109
121 238
135
149

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:2 Entry:205819 Library:WILEY7.LIB
SI:88 Formula:C19 H34 O2 CAS:112-63-0 MolWeight:294 RetIndex:0
CompName:9,12-Octadecadienoic acid (Z,Z)-, methyl ester (CAS) Methyl linoleate $$ METHYL CIS-9,CIS-12-OCTADECADIENOATE $$ Methyl octad
100 67 81
95
55

Me O C(O) (CH 2 ) 7 CH CHCH 2 CH CH(CH 2 ) 4 Me

41 109

123 136
150
164 178 294

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:3 Entry:248179 Library:WILEY7.LIB
SI:88 Formula:C20 H35 CL O2 CAS:25525-76-2 MolWeight:342 RetIndex:0
CompName:2-Chloroethyl linoleate $$
100 67
81

55
95

41 109
123 135 263
150 164

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:4 Entry:120666 Library:WILEY7.LIB
SI:88 Formula:C16 H28 CAS:80634-97-5 MolWeight:220 RetIndex:0
CompName:1,E-11,Z-13-Hexadecatriene $$
100 67 82

41 95

55

109 121 220

135 149 163 191

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
Hit#:5 Entry:160102 Library:WILEY7.LIB
SI:88 Formula:C16 H28 O2 CAS:123-69-3 MolWeight:252 RetIndex:0
CompName:Oxacycloheptadec-8-en-2-one (CAS) Ambrettolide $$ Ambrettolid $$ Musk natural $$ Musk ambrette $$ Musk ambrette, natural $$ 7-Hexadecenoic acid, 16-hydroxy-, .omicron.-
100 41 67
81
55
O
96
O
109
123 135 252
150 234

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
<< Target >>
Line#:26 R.Time:33.092(Scan#:2772) MassPeaks:241
RawMode:Averaged 33.083-33.100(2771-2773) BasePeak:79.10(26900)
BG Mode:Calc. from Peak Group 1 - Event 1
100 79

41 55 93

108

121 135 149 278 345

40 167 194 208 222 249 298 321 368 382 404 430 457 474 531

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:230727 Library:WILEY7.LIB
SI:84 Formula:C21 H36 O2 CAS:55682-88-7 MolWeight:320 RetIndex:0
CompName:11,14,17-Eicosatrienoic acid, methyl ester (CAS) METHYL-11,14,17-EICOSATRIENOATE $$
100 79
41
67
55 95
Me O C(O) (CH 2 ) 9 CH CH CH 2 CH CH CH 2 CH CH Et
108

39 121
135
149

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:203787 Library:WILEY7.LIB
SI:82 Formula:C19 H32 O2 CAS:301-00-8 MolWeight:292 RetIndex:0
CompName:9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- (CAS) Methyl linolenate $$ Linolenic acid methyl ester $$ Linolenic acid, methyl ester $$ Methyl all-cis-9,12,15-octadecatrie
100 79
67
41 55
93 Me O C(O) (CH 2 ) 7 CH CH CH 2 CH CH CH 2 CH CH Et

108
39 121 135
149

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:85338 Library:WILEY7.LIB
SI:82 Formula:C14 H24 CAS:74744-44-8 MolWeight:192 RetIndex:0
CompName:3-Tetradecen-5-yne, (E)- (CAS)
100 79

41 55 93
67 Me (CH 2 ) 7 C CCH CHEt
27
107
121 135
149 163 192

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:173249 Library:WILEY7.LIB
SI:82 Formula:C18 H32 O CAS:2774-90-5 MolWeight:264 RetIndex:0
CompName:9,12,15-Octadecatrien-1-ol (CAS) OCTADECA-9,12,15-TRIEN-1-OL $$
100 79
67
41
55
95 108 HO (CH 2) 8 CH CH CH 2 CH CHCH 2 CH CHEt

121
135 208
27 149 264

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:217297 Library:WILEY7.LIB
SI:82 Formula:C20 H34 O2 CAS:1783-84-2 MolWeight:306 RetIndex:0
CompName:8,11,14-Eicosatrienoic acid, (Z,Z,Z)- (CAS) CIS,CIS,CIS-8,11,14-EICOSATRIENOIC ACID $$ Dihomo-.gamma.-linolenic acid $$ cis-8,11,14-Eicosatrienoic acid $$
100 41 67
79

93 Me (CH 2 ) 4 CH CH CH 2 CH CH CH 2 CH CH (CH 2 ) 6 CO 2 H

39
107
121 135 150
208

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:27 R.Time:33.608(Scan#:2834) MassPeaks:233
RawMode:Averaged 33.600-33.617(2833-2835) BasePeak:74.10(42963)
BG Mode:Calc. from Peak Group 1 - Event 1
100 74 87

43
59
41
98 143
40 115 129 157 171 185 199 210 227 250 269 283 296 320 345 359 381 392 406 430 453 472 531

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:235759 Library:WILEY7.LIB
SI:87 Formula:C21 H42 O2 CAS:1120-28-1 MolWeight:326 RetIndex:0
CompName:Eicosanoic acid, methyl ester (CAS) Arachidic acid methyl ester $$ Methyl arachate $$ Methyl eicosanoate $$ METHYL N-EICOSANOATE $$ EICOSANOIC ACID METHYL
100 74
87

Me (CH 2 ) 18 C(O) OMe

41 57
143
28 101 115 129 171 185 199

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:209832 Library:WILEY7.LIB
SI:86 Formula:C19 H38 O2 CAS:112-61-8 MolWeight:298 RetIndex:0
CompName:Octadecanoic acid, methyl ester (CAS) Methyl stearate $$ Methyl octadecanoate $$ Methyl n-octadecanoate $$ Stearic acid methyl ester $$ Kemester 9718 $$ Stearic acid, methyl
100 74
87

43 Me (CH 2 ) 16 C(O) OMe

41
57
143
101
39 115 129 157 185 199

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:235755 Library:WILEY7.LIB
SI:86 Formula:C21 H42 O2 CAS:1120-28-1 MolWeight:326 RetIndex:0
CompName:Eicosanoic acid, methyl ester (CAS) ARACHIDIC ACID METHYL ESTER $$ Methyl arachate $$ Methyl eicosanoate $$
100 74

87

43 Me (CH 2 ) 18 C(O) OMe

41
57
143 326
27 101 115 129 157 171 185 199 227 241 283 295

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:266620 Library:WILEY7.LIB
SI:86 Formula:C24 H48 O2 CAS:2433-97-8 MolWeight:368 RetIndex:0
CompName:Tricosanoic acid, methyl ester (CAS) Methyl tricosanoate $$
100 74
43
87

Me (CH 2 ) 21 C(O) OMe

41
57
143
101
39 115 129 157 171 185 199 213 241 255 269 283 325 368

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:235761 Library:WILEY7.LIB
SI:86 Formula:C21 H42 O2 CAS:1120-28-1 MolWeight:326 RetIndex:0
CompName:Eicosanoic acid, methyl ester (CAS) Arachidic acid methyl ester $$ Methyl arachate $$ Methyl eicosanoate $$ METHYL N-EICOSANOATE $$ EICOSANOIC ACID METHYL
100 74

43
87
Me (CH 2 ) 18 C(O) OMe
41
57
143
39 101 115 129 157 171 185 199 227 283 326

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:28 R.Time:34.367(Scan#:2925) MassPeaks:230
RawMode:Averaged 34.358-34.375(2924-2926) BasePeak:57.15(7038)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57
43

71
41
85 107 167
149 210
368 381 453
121 137 168 182 197 292 392 412
40 228 241 258 269 316 328 345 363 425 439 472 530

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:123914 Library:WILEY7.LIB
SI:72 Formula:C15 H26 O CAS:142-50-7 MolWeight:222 RetIndex:0
CompName:d-Nerolidol $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- (CAS) .ALPHA.-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL $$ N
100 41 69
43
40
71
93 H2C CH CMe(OH) CH 2 CH2 CH CMe CH2CH2CH CMe 2

107

136
123 161 207

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:124000 Library:WILEY7.LIB
SI:71 Formula:C15 H26 O CAS:489-86-1 MolWeight:222 RetIndex:0
CompName:Guaiol $$ 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]- (CAS) 7-(1-HYDROX
100 41 57
Me
137
Me 2 COH

71 105
39 95
121 149 163 Me

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:123246 Library:WILEY7.LIB
SI:71 Formula:C15 H26 O CAS:13822-35-0 MolWeight:222 RetIndex:0
CompName:5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl- $$
100 41 57
137

71 105
39 95
121 149 163

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:217297 Library:WILEY7.LIB
SI:71 Formula:C20 H34 O2 CAS:1783-84-2 MolWeight:306 RetIndex:0
CompName:8,11,14-Eicosatrienoic acid, (Z,Z,Z)- (CAS) CIS,CIS,CIS-8,11,14-EICOSATRIENOIC ACID $$ Dihomo-.gamma.-linolenic acid $$ cis-8,11,14-Eicosatrienoic acid $$
100 41 67
79

93 Me (CH 2 ) 4 CH CH CH 2 CH CH CH 2 CH CH (CH 2 ) 6 CO 2 H

39
107
121 135 150
208

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:74410 Library:WILEY7.LIB
SI:71 Formula:C11 H18 O2 CAS:16778-27-1 MolWeight:182 RetIndex:0
CompName:Tetrahydroactinidiolide $$ 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl- (CAS) OXA-CYCLOUNDEC-8-ENE-2,7-DIONE $$ Cyclohexaneacetic acid, 2-hydroxy-2,6,6-trim
100
41 Me
69
O O
139
167
81
27 96
Me
111
140 Me

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:29 R.Time:34.500(Scan#:2941) MassPeaks:178
RawMode:Averaged 34.492-34.508(2940-2942) BasePeak:45.10(36727)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

57 89

71
41
40 99 119 151 166 183 197 212 229 263 291 316 337 350 368 384 408 426 453 472 529

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:241864 Library:WILEY7.LIB
SI:90 Formula:C18 H38 O5 CAS:0-00-0 MolWeight:334 RetIndex:0
CompName:DECYLTETRAGLYCOL $$
100 45

57 89

71
41
103 138
31 119 163 185

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:262299 Library:WILEY7.LIB
SI:82 Formula:C20 H42 O5 CAS:0-00-0 MolWeight:362 RetIndex:0
CompName:DODECYLTETRAGLYCOL $$
100 57

43
71
89

41 103
133 166
117 169 213 257
147

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:216809 Library:WILEY7.LIB
SI:81 Formula:C16 H34 O5 CAS:0-00-0 MolWeight:306 RetIndex:0
CompName:OCTYLTETRAGLYCOL $$
100 45 57
71

89

110
41
113 133 157
31 187 201

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:137382 Library:WILEY7.LIB
SI:80 Formula:C12 H26 O4 CAS:0-00-0 MolWeight:234 RetIndex:0
CompName:HEXYLTRIGLYCOL $$
100 45

85

82
41 59
103113 129
30 145 159

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:249755 Library:WILEY7.LIB
SI:80 Formula:C21 H44 O3 CAS:0-00-0 MolWeight:344 RetIndex:0
CompName:CHIMILETHER $$
100 58

43
71 89

41

26 99 113 127 253 312 344

142

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:30 R.Time:34.842(Scan#:2982) MassPeaks:268
RawMode:Averaged 34.833-34.850(2981-2983) BasePeak:98.10(20885)
BG Mode:Calc. from Peak Group 1 - Event 1
100 85 98

43
41 57
73
112 129 140 154 194 208 222
250 264
278 404 427 439 453
40 168 307 327 345 368 384 475 529

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:333908 Library:WILEY7.LIB
SI:81 Formula:C37 H74 N O8 P CAS:3026-45-7 MolWeight:692 RetIndex:0
CompName:Hexadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester (CAS) DIPALMITOYL PHOSPHATIDYL ETH
100 43 85
57
41 98
O OC(O) (CH 2)14Me
H 2 N CH 2 CH 2 O P(OH) O CH 2 CHCH 2 OC(O) (CH 2 ) 14 Me
71 239

27 112 129 313

140 155 299

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:247103 Library:WILEY7.LIB
SI:80 Formula:C22 H44 O2 CAS:112-85-6 MolWeight:340 RetIndex:0
CompName:Docosanoic acid (CAS) Behenic acid $$ Glycon B-70 $$ Hydrofol 2022-55 $$ Hydrofol Acid 560 $$ n-Docosanoic acid $$ 1-Docosanoic acid $$
100 43

41 98
57
73 HO 2 C (CH 2 ) 20 Me
97
112 129
185 241 284 297 312 340

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:225204 Library:WILEY7.LIB
SI:79 Formula:C18 H34 O4 CAS:871-70-5 MolWeight:314 RetIndex:0
CompName:Octadecanedioic acid (CAS) OCTADECANE-1,18-DICARBOXYLIC ACID $$ 1,18-Octadecadioic acid $$ Hexadecadicarboxylic acid $$ 1,18-Octadecanedioic acid $$ 1,16-Hex
100 98

55
84
41 HO 2 C (CH 2 ) 16 CO 2 H
69 112

27 126
140 154 270

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:276899 Library:WILEY7.LIB
SI:79 Formula:C23 H46 O4 CAS:0-00-0 MolWeight:386 RetIndex:0
CompName:1-MONOARACHIDIN $$
100 43
57
41
98
73 84
134 295
27 112 312
154 269

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:272606 Library:WILEY7.LIB
SI:79 Formula:C23 H38 O4 CAS:35474-99-8 MolWeight:378 RetIndex:0
CompName:5,8,11,14-Eicosatetraenoic acid, 2,3-dihydroxypropyl ester, (all-Z)- (CAS) 1-Monoarachidin $$
100 43
57
41
98 Me (CH 2)4 CH CH CH 2CH CH CH 2 CH CHCH 2CH CH (CH 2)3C(O) OCH 2CH(OH) CH 2OH

73 84
134 295
27 112 312
154 269

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
<< Target >>
Line#:31 R.Time:37.325(Scan#:3280) MassPeaks:257
RawMode:Averaged 37.317-37.333(3279-3281) BasePeak:57.15(26857)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57

43 71
85

41
99
113 127 141
40 155 169 184 208 226 238 254 268 282 298309 325 337 356 370 381392 412 427 439 453 475 531

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520
Hit#:1 Entry:221426 Library:WILEY7.LIB
SI:85 Formula:C22 H46 CAS:629-97-0 MolWeight:310 RetIndex:0
CompName:Docosane (CAS) n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$
100 57
43
71
85
41 Me (CH 2 ) 20 Me
99
113 127
39 141 155 169 183 197
211 225 239 253 310

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520
Hit#:2 Entry:162353 Library:WILEY7.LIB
SI:84 Formula:C18 H38 CAS:593-45-3 MolWeight:254 RetIndex:0
CompName:Octadecane (CAS) n-Octadecane $$ Octadecan $$
100 57
43 71

85
Me (CH 2 ) 16 Me
41
99
27 113 127 141 254
155 169 183 197 211

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520
Hit#:3 Entry:312400 Library:WILEY7.LIB
SI:84 Formula:C34 H70 CAS:14167-59-0 MolWeight:479 RetIndex:0
CompName:Tetratriacontane (CAS) n-Tetratriacontane $$
100 57

43 71

85 Me (CH 2 ) 32 Me
41
99
18 113 127
141 155 169 183 197 211

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520
Hit#:4 Entry:312276 Library:WILEY7.LIB
SI:84 Formula:C34 H70 CAS:55429-84-0 MolWeight:479 RetIndex:0
CompName:Tetracosane, 11-decyl- (CAS) 11-n-Decyltetracosane $$
100 57 43

71
(CH 2 ) 12 Me
85 Me (CH 2 ) 9 CH(CH 2 ) 9 Me
41
99 113
39 127 141 155 169 183 295 337
197 211 225

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520
Hit#:5 Entry:273896 Library:WILEY7.LIB
SI:84 Formula:C27 H56 CAS:593-49-7 MolWeight:380 RetIndex:0
CompName:Heptacosane (CAS) n-Heptacosane $$
100 57
43
71

85 Me (CH 2 ) 25 Me
41
99
113 127 141
27 155 169 183 197 211 225 239 253 380

10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490 520
<< Target >>
Line#:32 R.Time:39.508(Scan#:3542) MassPeaks:225
RawMode:Averaged 39.500-39.517(3541-3543) BasePeak:57.15(26805)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57
71
85
43

99
41
113 127
40 141 155 169 183 204 232 248 262 273 296 309 325 337 355 368 382 394 406 433 461 475 532

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:1 Entry:288437 Library:WILEY7.LIB
SI:92 Formula:C29 H60 CAS:630-03-5 MolWeight:408 RetIndex:0
CompName:Nonacosane (CAS) n-Nonacosane $$
100 57

71
43
85 Me (CH 2 ) 27 Me
41 99 113
127 141 155 169 183 197
27 211 225 239 253 267

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:2 Entry:265402 Library:WILEY7.LIB
SI:91 Formula:C26 H54 CAS:630-01-3 MolWeight:366 RetIndex:0
CompName:Hexacosane (CAS) n-Hexacosane $$
100 57

71
43
85
Me (CH 2 ) 24 Me
41 99
113 127 141
155 169 183 197 211 225 239 366
253 267 296

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:3 Entry:207929 Library:WILEY7.LIB
SI:91 Formula:C21 H44 CAS:629-94-7 MolWeight:296 RetIndex:0
CompName:Heneicosane (CAS) n-Heneicosane $$
100 57

71
43
85 Me (CH 2 ) 19 Me
41 99
113 127 141
39 155 169 183 197 211 225 239 253 296

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:4 Entry:288440 Library:WILEY7.LIB
SI:91 Formula:C29 H60 CAS:630-03-5 MolWeight:408 RetIndex:0
CompName:Nonacosane (CAS) n-Nonacosane $$ Celidoniol, deoxy- (CAS)
100 57

71

43 85 Me (CH 2 ) 27 Me
99 113
127 141 155 169 183 197 211 408
39 225 239 253 267 281 295 309

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
Hit#:5 Entry:255945 Library:WILEY7.LIB
SI:91 Formula:C25 H52 CAS:629-99-2 MolWeight:352 RetIndex:0
CompName:Pentacosane (CAS) n-Pentacosane $$
100 57

71

43 85 Me (CH 2 ) 23 Me
28 99
113 127
141 155 169 183 197 211
27 225 239 253 267 352

20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500