A

Sample Information
Analyzed by : Admin
Analyzed : 22-11-2019 12:43:50
Sample Type : Unknown
Sample Name : A 22.11.2019
Sample ID : A 22.11.2019
Injection Volume : 1.00
Data File : D:\GCMS\A 22.11.2019.qgd
Method File : D:\GCMS\Methode\Periyar TBI 16.08.2018.qgm
Tuning File : D:\GCMS\Tuning\tt.qgt
Chromatogram A 22.11.2019 D:\GCMS\A 22.11.2019.qgd

TIC
15.837
2,124,781
13.969
5.349
16.063
5.242
9.8119.705
15.380
11.851
15.342
12.145
7.213
13.551
7.303
12.079
10.864
8.563
7.906
9.538
8.917
10.0 20.0 24.0

min
Peak Report TIC

Peak# R.Time Area Area% Height Height% A/H Name
1 5.242 207150 1.13 64931 1.55 3.19 L-Alanine, ethyl ester (CAS) Alanine ethyl ester
2 5.349 2628570 14.33 294922 7.04 8.91 1-P-MENTHEN-8-YL ACETATE
3 7.213 134437 0.73 57597 1.38 2.33 1-DODECANOL
4 7.303 99906 0.54 50286 1.20 1.99 Tetradecane (CAS) n-Tetradecane
5 7.906 62749 0.34 33738 0.81 1.86 2-[(2,4,4,6,6,8,8-HEPTAMETHYL-1,3,5,7,2,4,6,8-TETRAOXATETRASILOCAN-2-YL)OXY]-2
6 8.563 125970 0.69 59987 1.43 2.10 1-(3,3-DIMETHYL-1-BUTYNYL)-1,2-DIMETHYL-3-METHYLENECYCLOPROPANE
7 8.917 71993 0.39 34702 0.83 2.07 13,16-Octadecadiynoic acid, methyl ester (CAS) METHYL 13,16-OCTADECADIYNOATE
8 9.538 50568 0.28 25142 0.60 2.01 Decane, 2,3,5-trimethyl- (CAS)
9 9.705 651287 3.55 169391 4.04 3.84 1,2-BENZOLDICARBONSAEURE, DI-(HEX-1-EN-5-YL-ESTER)
10 9.811 173636 0.95 80808 1.93 2.15 Octadecane (CAS) n-Octadecane
11 10.864 95779 0.52 44850 1.07 2.14 5A-METHYL-3,8-DIMETHYLENE-2-OXODODECAHYDROOXIRENO[2',3':6,7]NAPHTHO[
12 11.851 375749 2.05 139419 3.33 2.70 .ALPHA.-TERPINOLENE
13 12.079 109751 0.60 48938 1.17 2.24 3-Eicosene, (E)- (CAS)
14 12.145 148326 0.81 67898 1.62 2.18 Dodecane, 1-iodo- (CAS) n-Dodecyl iodide
15 13.551 90005 0.49 40569 0.97 2.22 Hexadecanoic acid, 15-methyl-, methyl ester (CAS) METHYL-15-METHYL HEXADECANOAT
16 13.969 2581837 14.08 799520 19.09 3.23 9-Octadecenoic acid (Z)- (CAS) Oleic acid
17 15.342 106404 0.58 44830 1.07 2.37 9,12-Octadecadienoic acid (Z,Z)- (CAS) Linoleic acid
18 15.380 162755 0.89 74672 1.78 2.18 METHYL 9-OCTADECENOATE
19 15.837 9113226 49.69 1787344 42.68 5.10 9,12-Octadecadienoic acid (Z,Z)- (CAS) Linoleic acid
20 16.063 1349807 7.36 268279 6.41 5.03 Octadecanoic acid (CAS) Stearic acid
18339905 100.00 4187823 100.00
Library
<< Target >>
Line#:1 R.Time:5.242(Scan#:30) MassPeaks:28
RawMode:Averaged 5.233-5.250(29-31) BasePeak:44.00(23170)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 44
80
60
40
20
42 56 88 91 97 120
50 63 7274 103 131
0 10 20 30 40 50 60 70 80 90 100 110 120 130

Hit#:1 Entry:14166 Library:WILEY7.LIB
SI:88 Formula:C5 H11 N O2 CAS:3082-75-5 MolWeight:117 RetIndex:0
CompName:L-Alanine, ethyl ester (CAS) Alanine ethyl ester $$ L-Alanine ethyl ester $$ L-Aniline ethyl ester $$ Alanine, ethyl ester, L- $$ L-.alpha.-Alanine ethyl ester $$
100 44
80
60
Et OC(O) CH(NH 2 )Me
40
20 29
32 41 47 56 64 70 74 102 116
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:88 Formula:C9 H13 N CAS:300-62-9 MolWeight:135 RetIndex:0
CompName:Benzeneethanamine, .alpha.-methyl-, (.+-.)- (CAS) .ALPHA.-METHYLPHENETHYLAMINE $$ Amphetamine $$ Finam $$ Adipan $$ Isomyn $$ Fenamin $$ Actedron $$ Percom
100 44
80 NH 2
60 CH 2 CHMe
40
20
42 91
51 63 65 77 103 115 120
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:87 Formula:C4 H10 CL N O2 CAS:0-00-0 MolWeight:139 RetIndex:0
CompName:PHOSPHAN, 2-(N-PIPERIDINO)ETHYL- $$ (L)-ALANINMETHYLESTERHYDROCHLORID $$
100 44
80
60
40
20 36
42
27 55 59 70 74 88 102
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:87 Formula:C4H10ClNO2 CAS:0-00-0 MolWeight:139 RetIndex:0
CompName:(L)-ALANINMETHYLESTERHYDROCHLORID $$ 1-METHOXY-1-OXO-2-PROPANAMINIUM CHLORIDE
100 44
80
60 O
N+ Cl-
40
O
20 36
42
27 55 59 70 74 88 102
0 10 20 30 40 50 60 70 80 90 100 110 120 130

CompName:Benzeneethanamine, N-methyl- (CAS) N-Methylphenethylamine $$ 2-PHENYL-N-METHYL-ETHYLAMINE $$ Phenethylamine, N-methyl- $$ N-Methyl-N-(2-phenylethyl)amin
100 44
80
CH 2 CH 2 NHMe
60
40
20
28 32 42 51 57 65 69 77 79 89 91 102 105 117 132 135
0 10 20 30 40 50 60 70 80 90 100 110 120 130

<< Target >>
100 44
80
60
40
20
42 56 88 91 97 120
50 63 7274 103 131
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:86 Formula:C10H15N CAS:588-06-7 MolWeight:149 RetIndex:0
CompName:AMPHETAMINE-3-METHYL
100 44
80
NH2
60
40
20
42 77 79 91
51 65 105 115 132
0 10 20 30 40 50 60 70 80 90 100 110 120 130

CompName:AMPHETAMINE-3-METHYL $$
100 44
80
60
40
20
42 77 79 91
51 65 105 115 132
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:86 Formula:C3 H2 O2 CAS:471-25-0 MolWeight:70 RetIndex:0
CompName:2-PROPYNOIC ACID $$
100 44
26
80
60
40
20 28
3941 55 71
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:86 Formula:C3H2O2 CAS:0-00-0 MolWeight:70 RetIndex:0
CompName:PROPIOLIC ACID $$ 2-PROPYNOIC ACID
100 44
26
80 OH
60
40
20
O
28
3941 55 71
0 10 20 30 40 50 60 70 80 90 100 110 120 130

CompName:2-Pentanamine (CAS) 2-Aminopentane $$ 2-Pentylamine $$ 1-Methylbutylamine $$ 1-Methyl-n-butylamine $$ Butylamine, 1-methyl- $$ .alpha.-Methylbutylamine $$ 2-Amylamin
100 44
80
60
PrCHMe(NH 2 )
40
20 30
27
35 39 42 51 55 62 65 69 72 76 83 8688
0 10 20 30 40 50 60 70 80 90 100 110 120 130

<< Target >>
100 44
80
60
40
20
42 56 88 91 97 120
50 63 7274 103 131
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:86 Formula:C5H10N2O3 CAS:1188-01-8 MolWeight:146 RetIndex:0
CompName:[(2-AMINOPROPANOYL)AMINO]ACETIC ACID # $$ DL-ALANYLGLYCIN $$ GLYCINE, N-DL-ALANYL- $$ N-DL-ALANYLGLYCINE $$ [(2-AMINOPROPANOYL)A
100 44
80 NH2 O
60 NH
OH
40
O
20 28 30
41 48 56 60 70 73 85 99 102 113 128
0 10 20 30 40 50 60 70 80 90 100 110 120 130

CompName:1-Butanamine, N-methyl- (CAS) Methyl-n-butylamine $$ Methylbutylamine $$ Butylmethylamine $$ N-Methylbutylamine $$ N-Butylmethylamine $$ N-Methylbutanamine $$ But
100 44
80
60
Me NH(CH 2 ) 3 Me
40
20 28 30
39 45 87
2 14 52 56 64 70 80
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:86 Formula:C5 H10 N2 O3 CAS:0-00-0 MolWeight:146 RetIndex:0
CompName:DL-ALANYLGLYCIN $$
100 44
80
60
40
20 28 30
41 48 56 60 70 73 85 99 102 113 128
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:85 Formula:C3 H10 N2 CAS:78-90-0 MolWeight:74 RetIndex:0
CompName:1,2-Propanediamine (CAS) 1,2-Diaminopropane $$ Propylenediamine $$ 1,2-Propylenediamine $$ UN 2258 $$ propylene diamine $$
100 44
80
60
H 2 NCH 2 CH(NH 2 )Me
40 30
20 42
15 18 27 39 56
2 32 51 60 70 74
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:85 Formula:CH5NO3 CAS:0-00-0 MolWeight:79 RetIndex:0
CompName:AMMONIUM BICARBONATE ( PYROLYSIS )
100 44
80 16
60
40
20 28
22 45
0 10 20 30 40 50 60 70 80 90 100 110 120 130

<< Target >>
100 44
80
60
40
20
42 56 88 91 97 120
50 63 7274 103 131
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:85 Formula:C H5 N O3 CAS:0-00-0 MolWeight:79 RetIndex:0
CompName:Ammonium bicarbonate ( pyrolysis ) $$
100 44
80 16
60
40
20 28
22 45
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:85 Formula:C H3 N O2 CAS:1111-78-0 MolWeight:61 RetIndex:0
CompName:Carbamic acid, monoammonium salt (CAS) Ammonium carbamate $$ Carbamic acid, ammonium salt $$ Monoammonium salt of carbamic acid $$ Ammonium carbaminate $$
100 44
80 17 HO 2 CNH 2
16
60
40
20 28
@ NH 3
32 45
0 10 20 30 40 50 60 70 80 90 100 110 120 130

SI:85 Formula:C9H13N CAS:0-00-0 MolWeight:135 RetIndex:0
CompName:DEXTROAMPHETAMINE, USP
100 44
80
60
40
20 65
91
42 51 60 77 89 120
103 134
0 10 20 30 40 50 60 70 80 90 100 110 120 130

CompName:MONOMETHYL ESTER OF OXALIC ACID $$ Ethanedioic acid, monomethyl ester (CAS) Oxalic acid, monomethyl ester $$ Monomethyl oxalate $$ Oxalic acid, methyl ester $$
100 44
80
60
29 Me OC(O) CO 2 H
40
20
50 59
0 10 20 30 40 50 60 70 80 90 100 110 120 130

CompName:DEXTROAMPHETAMINE, USP $$
100 44
80
60
40
20 65
91
42 51 60 77 89 120
103 134
0 10 20 30 40 50 60 70 80 90 100 110 120 130

<< Target >>
100 43 93
80
60 121
44
40
59 67 79 136
20 55 91 107
68 122
101 131
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:1-P-MENTHEN-8-YL ACETATE $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate (CAS) .alpha.-Terpinyl acetate $$ .alpha.-Terpineol acetate $$ p-Menth-1-en-8-
100 43 121
93 136 Me
80
COAc
60
28 Me
40
67 79 107
20 39 53 59 Me
15 139
82 96
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:OCIMENYL ACETATE
100 93
80
43
60 121
81
40 136
41
20 53 59 77 107
27 65 101
31 109 119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:Ocimenyl acetate $$
100 93
80
43
60 121
81
40 136
41
20 53 59 77 107
27 65 101
31 109 119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
SI:87 Formula:C10 H18 O CAS:470-08-6 MolWeight:154 RetIndex:0
CompName:.BETA. FENCHYL ALCOHOL $$
100 59
93
80
121
60 81
43 136
40 67
41
77
20 53
65 107 139
96
119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:.ALPHA. TERPINEOL $$
100 59
80 93
121 CMe 2 OH
136
60
43 81
40
41 67 Me
20 53 77
107 139
65 96
119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
100 43 93
80
60 121
44
40
59 67 79 136
20 55 91 107
68 122
101 131
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- (CAS) p-Menth-1-en-8-ol, (S)-(-)- $$ ALPHA-TERPINEOL $$ (-)-.alpha.-Terpineol $$ (+)-ALPHA-TERPINEOL (P-M
100 59
93
80 43 121 CMe 2 OH
136
60 28
81
40 41 67
55 Me
71 107
20 29 91
105 154
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:CIS-SABINENE HYDRATE ACETATE $$
100 43
93
80
60 91
121
40 77
136
81
20 45 51 67 107
111
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:ALPHA-TERPINYL ACETATE
100 43
121
80 93
136
60
40
41 59
20 67 81
53 105 122 139
82 181
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:ALPHA-TERPINYL ACETATE $$
100 43
121
80 93
136
60
40
41 59
20 67 81
53 105 122 139
82 181
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:(E)-SOLANONE $$ 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (E)- (CAS) Solanone $$
100 43 93
80
60 CHMe 2
H 2 C CMe CH CH CHCH 2 CH 2 COMe
40 121 136
20 39 79
27 55 67 107 111 194
15 151
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
100 43 93
80
60 121
44
40
59 67 79 136
20 55 91 107
68 122
101 131
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:(3-ISOPROPENYL-2-METHYLCYCLOPENTYL)METHYL ACETATE $$ CYCLOPENTAN, 1-ACETOXYMETHYL-3-ISOPROPENYL-2-METHYL-
100 43
80 121 O
60 93 O
136
40 68 107
79 94
20 28 53
77
165
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:CYCLOPENTANE, 1-ACETOXYMETHYL-3-ISOPROPENYL-2-METHYL-
100 43
80 121
60 93
136
40 68 107
79 94
20 28 53
77
165
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:CYCLOPENTANE, 1-ACETOXYMETHYL-3-ISOPROPENYL-2-METHYL- $$
100 43
80 121
60 93
136
40 68 107
79 94
20 28 53
77
165
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:Dihydrocarvyl acetate $$ Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1.alpha.,2.beta.,5.alpha.)- (CAS) Dihydrocarveol acetate $$ Dihydrocarveyl acetate. $$ p-Menth-8
100 43
80
Ac O CMe CH 2
60
93
107
40 41
79
121
136 Me
20 28 55 68
57 77 91 105 154
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:ENDOBORNYL ACETATE $$ Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo- (CAS) Bornyl acetate $$ Borneol acetate $$ Borneol, acetate $$ Bornyl acetic ether $$ 2
100 43 93
80 Me
41 121 OAc
60
Me
40 67 79 136
27
55 77 91 107
20 29
60 Me
105 154
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
100 43 93
80
60 121
44
40
59 67 79 136
20 55 91 107
68 122
101 131
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:.BETA.-TERPINYL ACETATE $$ BETA-TERPINYL ACETATE $$
100 43 93
80
68
60
107 121 136
40 81
41
20 27 53
65 77 109 139
97
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate $$ Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester $$ Linalyl anthranilate $$ Anthranilic acid, linalyl ester $$ 3,7-Dimethy
100 43 93
80
CH CH 2
60 C(O) OCMe CH 2 CH 2 CH CMe 2
80
40 69
NH 2
55 121
39 67
20 27 53
83 105 136
15 113
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
CompName:.BETA.-TERPINYL ACETATE $$ BETA-TERPINYL ACETATE
100 43 93
80
68
60
107 121 136
40 81
41
20 27 53
65 77 109 139
97
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
SI:83 Formula:C10H18O CAS:0-00-0 MolWeight:154 RetIndex:0
CompName:(+)-ALPHA-TERPINEOL (P-MENTH-1-EN-8-OL) $$ 2-(4-METHYL-3-CYCLOHEXEN-1-YL)-2-PROPANOL
100 59
80
60 93
43 121
40 81 136
41 67
20 27 31 53 77 OH
65 97 107 139
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
SI:83 Formula:C10 H16 CAS:79-92-5 MolWeight:136 RetIndex:0
CompName:Camphene $$ Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- (CAS) 3,3-Dimethyl-2-methylenenorbornane $$ 2,2-Dimethyl-3-methylenenorbornane $$ 3,3-Dimethyl-2-methylen
100 93
80 121 Me
60 Me
79
40 67 107
41 91 136 CH 2
20 55 77
18 29 105 119
44
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
100 41 55 69
80 70 83
60
97
40 98 111
20 53 81 91
46 58 65 75
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-DODECANOL $$ DODECAN-1-OL $$ DODECANOL-(1)
100 43 55 69
80 83
60
97 OH
40 29
31 71 111
20 54 140
110 125
168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-DODECANOL $$ DODECAN-1-OL
100 43 55 69
80 83
60
97 OH
40 29
68 111
20 27
85 140
45 124 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-Dodecanol (CAS) n-Dodecanol $$ CO 12 $$ S 1298 $$ Dodecanol $$ Pisol $$ Alfol 12 $$ Sipol L 12 $$ Lauryl 24 $$ Siponol 25 $$ Siponol L 2 $$ Siponol L 5 $$ Dodecanol-1
100 43 55 69
80 83
60
29
97 Me (CH 2 ) 11 OH
40 68 111
20 27
85 140
45 124 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:3-Hexadecene, (Z)- (CAS)
100 41 55 69
80
83
60 97 Me (CH 2 ) 11 CH CHEt
40 29
111
20 98
125 224
139 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270

SI:91 Formula:C17H34 CAS:0-00-0 MolWeight:238 RetIndex:0
CompName:HEPTADEC-8-ENE
100 43 55
80 69
57 83
60 97
29
40
111
20 125 238
140 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270

<< Target >>
100 41 55 69
80 70 83
60
97
40 98 111
20 53 81 91
46 58 65 75
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:Heptadec-8-ene $$
100 43 55
80 69
57 83
60 97
29
40
111
20 125 238
140 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:3-Octadecene, (E)- (CAS)
100 41 57 69
80 83
60 70 97
Me (CH 2 ) 13 CH CHEt
40 29 111
20 125
139 153 168 252
10 30 50 70 90 110 130 150 170 190 210 230 250 270

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 55
69
80 83
60 97
29 Me (CH 2 ) 13 OH
40
31 111
20 85
125 168
58 140 154 196
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:3-Tetradecene, (Z)- (CAS)
100 41 55
69
80
60 83 Me (CH 2 ) 9 CH CHEt
40 29
97
71
20 39
110 125 139 196
10 30 50 70 90 110 130 150 170 190 210 230 250 270

100 55
43 69
80 83
60 97
Me (CH 2 ) 7 CH CH (CH 2 ) 7 Me
40 29
111
20 125
139 153 252
10 30 50 70 90 110 130 150 170 190 210 230 250 270

<< Target >>
100 41 55 69
80 70 83
60
97
40 98 111
20 53 81 91
46 58 65 75
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-Undecanol (CAS) n-Undecanol $$ 1-Hendecanol $$ n-Undecan-1-ol $$ Undecyl alcohol $$ Hendecyl alcohol $$ n-Undecyl alcohol $$ Hendecanoic alcohol $$ Tip-Nip $$ Unde
100 55
43
69
80
83
60
97 Me (CH 2 ) 10 OH
40
20 111
126
44 58 73 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:3-Tetradecene, (E)- (CAS)
100 41 55 69
80
60 83
40 29 97
71
20 39 111
110 125 196
139 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-Tridecene (CAS) n-Tridec-1-ene $$ .alpha.-Tridecene $$ 1-C13H26 $$ Tridecene-1 $$ 2-CYCLOHEXYL-N1,N1,N4,N4-TETRAISOBUTYL-3-METHYL-SUCCINAMIDE $$
100
41 55
80
70 83
60
97
H 2 C CH(CH 2 ) 10 Me
40
111
20 82
125 154 182
65 99 138
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-Pentadecene (CAS) Pentadec-1-ene $$ Pentadecene,1- $$
100 43 55
80
69
60 83
29 H 2 C CH(CH 2 ) 12 Me
97
40
71
20 39 111
110 125 140 154 182 210
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-Dodecene (CAS) Adacene 12 $$ n-Dodec-1-ene $$ .alpha.-Dodecene $$ dodecene $$ n-undecane. 1-dodecene $$ Dodec-1-ene $$ .alpha.-Dodecylene $$ Dodecylene .alpha.- $$
100 43 55
69
80
57
60 83
111 H 2 C CH(CH 2 ) 9 Me
84 97
40 29
20
17 32 110 125 140 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

<< Target >>
100 41 55 69
80 70 83
60
97
40 98 111
20 53 81 91
46 58 65 75
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:Cyclopropane, nonyl- (CAS)
100 55
43
80 69
60 83
29
40 97 (CH 2 ) 8Me
27 68
20 111
85 125 140
50 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:Cyclododecane (CAS) CYCLODODECAN $$
100 41 55
80
29 69 83
60
27
40 97
20 54 111
15 81 125 140 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:1-Hexadecanol (CAS) Cetal $$ Ethal $$ Ethol $$ Cetanol $$ Cetylol $$ Adol 52 $$ Lanol C $$ Adol 54 $$ Lorol 24 $$ Alfol 16 $$ Aldol 54 $$ Atalco C $$ Cetaffine $$ Loxanol
100 43 55
80 69 83
41
60 97
Me (CH 2 ) 15 OH
40 29
111
20 98
125
15 139 154 168 196 224
10 30 50 70 90 110 130 150 170 190 210 230 250 270

SI:90 Formula:C14 H30 18O CAS:56712-06-2 MolWeight:214 RetIndex:0
CompName:TETRADECANOL-O18 $$
100 43 55
69 83
80
60 97
29 Me (CH 2 ) 13 18 OH
40
111
31
20 85 112 125 168
58 140 154 196
10 30 50 70 90 110 130 150 170 190 210 230 250 270

CompName:3-Eicosene, (E)- (CAS)
100 41 55
80 83
97
60
40 111
20 27 125
140 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270

<< Target >>
100 57
80 43 71
60
40 85
41
20 69 86 94
99
53 58 63 74
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$
100 57
43
80
60 71
Me (CH 2 ) 12 Me
40 85
20 29
70 99
39 113 127 140 155 169 198
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Heptadecane (CAS) n-Heptadecane $$ Normal-heptadecane $$
100 57
43
80
71
60
Me (CH 2 ) 15 Me
40 85
29 55
20
99 113 127 140 155 169 183 240
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Pentadecane (CAS) n-Pentadecane $$ CH3(CH2)13CH3 $$
100 57
80 43
71
60
85
Me (CH 2 ) 13 Me
40 41
20 29 99
72 111 127 141 155 169 182 212
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Decane, 2,3,5-trimethyl- (CAS)
100 57
80
43
71
60
Me (CH 2 ) 4 CHMe CH 2 CHMe CHMe 2
85
40
20 29 55 141
39 99
22 77 92 112 169
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Nonane, 3,7-dimethyl- (CAS) 3,7-Dimethylnonane $$
100 57
80
43 71
60
Me CH 2 CHMe (CH 2 ) 3 CHMe CH 2 Me
40 41 85
29 56
20 27 70
83 97 111 126 141 156
20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 57
80 43 71
60
40 85
41
20 69 86 94
99
53 58 63 74
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Eicosane (CAS) n-Eicosane $$
100 57
43
80
60 71
Me (CH 2 ) 18 Me
40 85
41
20
27 99 113 127 141 155 169 282
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Hexadecane (CAS) n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$
100 57
43
80
60 71
Me (CH 2 ) 14 Me
40
85
20 29
70 99 113
26 125 141 155 169 183 226
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Tridecane (CAS) n-Tridecane $$ Tridecane, n- $$
100 57
80 43
71
60
Me (CH 2 ) 11 Me
40 85
41
20
58 113 127 184
77 97 141 155
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Dodecane (CAS) n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane min $$ N-Dodecan $$ Duodecane $$
100 43 57
80
60 71
Me (CH 2 ) 10 Me
40
85
20 56
39 112 127 170
79 96 141
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Octadecane (CAS) n-Octadecane $$
100 57
80 43
71
60
85 Me (CH 2 ) 16 Me
40
20 29 99
69 113 127 141 155 169 183 197 211 254
20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 57
80 43 71
60
40 85
41
20 69 86 94
99
53 58 63 74
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Nonane, 2-methyl-5-propyl- (CAS)
100 57
80 43
71
60
Me 2 CH CH 2 CH 2 CHPr (CH 2 ) 3 Me
40 85
20 29
112
58 72 86 99 126 140
35 44
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Dodecane, 2,6,11-trimethyl- (CAS)
100 57
80 71
43
60
Me 2CH (CH 2) 3CHMe (CH 2 )4 CHMe 2
40
85
20 29
39 69 99 113 127 140 155 169 197 207
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Decane, 3-methyl- (CAS) 3-Methyldecane $$
100 57
80 43
60 71
Me (CH 2 ) 6 CHMe CH 2 Me
40 29
41 85
20 127
23 58 75 97 112 140 156
20 40 60 80 100 120 140 160 180 200 220 240 260 280
100 57
71
80
43
60
Me (CH 2 ) 3 CHPr CH 2 CHMe CH 2 Me
85
40 41
20 55
27 69 83 127 141
97 111 155
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Undecane, 5-ethyl- (CAS)
100 57
80
43
60
Me (CH 2 ) 5CHEt (CH 2 ) 3 Me
40 71
29 85
20 27 98 126 155
51 67 83 113 140
20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 57
80 43 71
60
40 85
41
20 69 86 94
99
53 58 63 74
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:3,6-Dimethyldecane $$
100 57 43
80
71
60
Me CH 2 CHMe CH 2 CH 2 CHMe (CH 2 )3 Me
40 85
29 84
20 27 113
51 67 99 127 140 155 170
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Decane, 5-propyl- (CAS)
100 57
71
80 43
60
Me (CH 2 ) 4CHPr (CH 2 ) 3 Me
40 85
20 55
112
27 97 126 140
82 184
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Undecane, 3-methyl- (CAS) 3-Methylundecane $$
100 57
80
43
60
71
40 41 85
29
20
58 141
25 81 97 112 126 170
20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Octane, 2,4,6-trimethyl- (CAS)
100 57
80 43
60
Me 2 CH CH 2 CHMe CH 2 CHMe CH 2 Me
40
71 85
20 29
99
32 51 65 77 91 112 127 141
20 40 60 80 100 120 140 160 180 200 220 240 260 280
100 57
80 71
43
60
Me CH 2 CHMe CH 2 CH 2 CHMe (CH 2 ) 4 CHMe 2
40
29 85
20 70
39 99 113 127 140 155 169 183 197
20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 73
80
60
40
281
40
20 44 147 327 415
41 59 93 105
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
SI:78 Formula:C16H48O10Si9 CAS:145344-72-5 MolWeight:652 RetIndex:0
CompName:2-[(2,4,4,6,6,8,8-HEPTAMETHYL-1,3,5,7,2,4,6,8-TETRAOXATETRASILOCAN-2-YL)OXY]-2,4,4,6,6,8,8,10,10-NONAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASI
100 73
80 Si O Si O
O Si O Si
60 O
Si O Si O
40
40 O Si
O Si
Si O
147
20
33 44 59 221 281
87 117 191 207 265 327 341 355 401 415 461 475 533 549
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
SI:74 Formula:C18 H52 O7 SI7 CAS:71579-69-6 MolWeight:576 RetIndex:0
CompName:3-Isopropoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris(trimethylsiloxy)tetrasiloxane $$
100 73
80
60
40 147
20 43
221 281
41 59 327 341 415
133 207 399 429 503 517 561
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:Benzeneacetic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS) META-HYDROXYPHENYLACETIC ACID-DITMS $$ M-HYDROXYPHENYLACETIC ACID 2TMS $$
100 73
80 OSiMe 3
60
40
20 147 164 CH 2 C(O) OSiMe 3
19 40 61 89 105 133 179 252 281 296
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:3,5-DIISOPROXY-1,1,1,7,7,7-HEXAMETHYL-3,5-BIS(TRIMETHYLSILOXY)TETRASILOXANE $$ 3,5-Diisopropoxy-1,1,1,7,7,7-hexamethyl-3,5-bis(trimethylsiloxy)tetrasil
100 73
80
60
40
43
20 327
41 59 87 147 341 415 429 447 487 531
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:3-Ethoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris(trimethylsiloxy)tetrasiloxane $$
100 73
80
60
40
147
20 547
45 59 281 327 341
133 207 221 415
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
<< Target >>
100 73
80
60
40
281
40
20 44 147 327 415
41 59 93 105
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
SI:72 Formula:C4H12Si CAS:75-76-3 MolWeight:88 RetIndex:0
CompName:SILANE, TETRAMETHYL- $$ TMS $$ TETRAMETHYLSILANE $$ (CH3)4SI $$ CT2050 $$ EINECS 200-899-1 $$ NSC 5210 $$ SI(CH3)4 $$ SILANE, TETRAMETHYL
100 73
80
60
Si
40
20 43
29
2 14 39 53 65 75 88
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:SILAN, TRIMETHYL-3-PENTEN-2-YL-, TRANS $$ TRIMETHYL[1-METHYL-2-BUTENYL]SILANE
100 73
80 Si
60
40
20
28 43 55 67 85 99 111 127 142
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
SI:71 Formula:C8 H18 SI CAS:53264-56-5 MolWeight:142 RetIndex:0
CompName:SILAN, TRIMETHYL-3-PENTEN-2-YL-, TRANS $$
100 73
80
60
40
20
28 43 55 67 85 99 111 127 142
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:SILANE, TRIMETHYL-3-PENTEN-2-YL-, TRANS $$
100 73
80
60
40
20
28 43 55 67 85 99 111 127 142
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:Silane, [1,2-phenylenebis(oxy)]bis[trimethyl- (CAS) BISTRIMETHYLSILYL CATECHOL $$ CATECHOL TRIMETHYLSILYL DERIVATIVE $$ CATECHOL 2TMS $$ 1,2-Bis
100 73
80 OSiMe 3
60 40 OSiMe 3
40
20 254
47 93 136 166 239
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
<< Target >>
100 73
80
60
40
281
40
20 44 147 327 415
41 59 93 105
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:2-METHOXY-1,3-DIOXOLANE $$ 1,3-DIOXOLAN-2-YL METHYL ETHER $$ 1,3-DIOXOLANE, 2-METHOXY-
100 73
80
60 O O
40 45
20
29 O
2733 42 61 103
50 89
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:2-Methoxy-1,3-dioxolane $$ 1,3-Dioxolane, 2-methoxy- $$ Orthoformic acid, cyclic ethylene methyl ester (CAS) Ethylene glycol, cyclic methyl orthoformate (CAS)
100 73
80
60
40 45
29
20
2733 42 61 103
50 89
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:1,3-Dioxolane (CAS) 1,3-Dioxolan $$ Glycolformal $$ Formal glycol $$ 1,3-Dioxacyclopentane $$ 1,3-Dioxole, dihydro- $$ Ethylene glycol formal $$ Dioxolane $$
100 73
80
60 29 44
O O
40
20
31 74
4146 56
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:Silane, trimethyl(1-methyl-1-propenyl)-, (E)- (CAS) SILANE, 2-BUTENYLTRIMETHYL-, TRANS $$
100 73
80
60
Me CH CMe SiMe 3
40
20 59 128
28 39 5360 71 83 95 113
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:SILANE, TRIMETHYL-2-PENTENYL-, TRANS
100 73
80
60
40
20
28 43 55 72 85
99
111 127
142
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
<< Target >>
100 73
80
60
40
281
40
20 44 147 327 415
41 59 93 105
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
SI:70 Formula:C14H28Si2 CAS:0-00-0 MolWeight:252 RetIndex:0
CompName:SPIRO[2.4]HEPT-5-EN, 5-TRIMETHYLSILYLMETHYL-1-TRI METHYLSILYL- $$ TRIMETHYL{[1-(TRIMETHYLSILYL)SPIRO[2.4]HEPT-5-EN-5-YL]METHYL}SILAN
100 73
80
60 Si
Si
40
20 45
28 57 85 104 121 136149 163 178 237 252
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:SILANE, TRIMETHYL-2-PENTENYL-, TRANS $$
100 73
80
60
40
20
28 43 55 72 85
99
111 127
142
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
SI:70 Formula:C14 H28 SI2 CAS:0-00-0 MolWeight:252 RetIndex:0
CompName:SPIRO[2.4]HEPT-5-EN, 5-TRIMETHYLSILYLMETHYL-1-TRI METHYLSILYL- $$
100 73
80
60
40
20 45
28 57 85 104 121 136149 163 178 237 252
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:SILANE, TRIMETHYL-2-PENTENYL-, (E)- $$
100 73
80
60
40
20
28 43 55 72 85
99
111 127
142
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
CompName:Tetrasiloxane, 3,5-diethoxy-1,1,1,7,7,7-hexamethyl-3,5-bis(trimethylsiloxy)- $$
100 73
80
60
40
20 327
503
45 59 341
87 133 147 415 473
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570 600
<< Target >>
100 41 105 119
91
80
60 55 132
117
40 44 77 93
50 69
65 79 83
20
61
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:1-(3,3-DIMETHYL-1-BUTYNYL)-1,2-DIMETHYL-3-METHYLENECYCLOPROPANE $$ 1-(3,3-DIMETHYL-BUT-1-YNYL)-1,2-DIMETHYL-3-METHYLENE-CYCLOPR
100 41 91
119
80 105
147
60
57 77
40 79
53 65
20 67 132
43 89 121
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:2-(3,3-DIMETHYL-1-BUTYNYL)-1,1-DIMETHYL-3-METHYLENECYCLOPROPANE $$ 2-(3,3-DIMETHYL-BUT-1-YNYL)-1,1-DIMETHYL-3-METHYLENE-CYCLOPR
100 41
80 91
105 119
60
57 77 147
40
53 65
20
43 89 121 131
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- (CAS) ar-Curcumene $$ .ALPHA.-CURCUMEN $$ Curcumene $$ .alpha.-Curcumene $$ 2-Heptene, 2-methyl-6-p-tolyl- $$ ALPH
100 119
80 132
CHMe CH 2 CH 2 CH CMe 2
60 41
105
40 55 Me
91 131 145 202
20 69
27 77
51 95 159
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:2,8-Decadiyne (CAS)
100 119
91
80
106
60 41 53
67 Me C C (CH 2 ) 4 C CMe
40 77
20 54 117 133
63 94 103
69 109 134
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:7,10-Pentadecadiynoic acid (CAS) PENTADECA-7, 10-DIYNOIC ACID $$
100 91
105
80
60
HO 2C (CH 2 ) 5C C CH 2 C C(CH 2 )3 Me
41
40 79 119
55
27 65 131
20 51 81 115
129 145
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
100 41 105 119
91
80
60 55 132
117
40 44 77 93
50 69
65 79 83
20
61
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:(3a.alpha.,4.alpha.,7a.alpha.)-4-Ethenyl-1,3,3a,4,5,7a-hexahydroisobenzofuran $$ Isobenzofuran, 4-ethenyl-1,3,3a,4,5,7a-hexahydro-, (3a.alpha.,4.alpha.,7a.alpha.)- (CAS)
100 79 105
91
80
60
40 67
41 51 117
20 69 93 103
50 82 115 132
58 150
123
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:Zingiberene $$ 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]- (CAS) l-Zingiberene $$ (-)-Zingiberene $$ .alpha.-Zingiberene $$ .ALPHA.-ZINGIBIREN
100 93 119
80
41 CHMe CH 2 CH 2 CH CMe 2
60
69
40 56 77 91 Me
20 27 105
43 133 161 204
122
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:Cyclopropane, 1-(2-methylene-3-butenyl)-1-(1-methylenepropyl)- (CAS)
100 91
80 105
41 79
60 55 67 CEt CH 2
133
27 CH 2 CCH CH 2
40
65 119
20 51 95 147
CH 2
81 115
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:1-(2'-Nitro-2'-propenyl)cyclohexene $$ Cyclohexene, 1-(2-nitro-2-propenyl)- (CAS) 2-(2-METHYL-ACRYLOYL)-CYCLOHEXANONE $$
100 91
80 41 79
67 81
60 120
55
40 105 CH 2 CNO 2
65 137
97
20 27 51 CH 2
109 150
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS
100 105 119
80 41 Me
161 Me
60 91
40 55 77
43 81 i-Pr
20 65 106 204
131 145 189 205
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
100 41 105 119
91
80
60 55 132
117
40 44 77 93
50 69
65 79 83
20
61
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:Z3,Z6,E8-dodecatrien-1-ol $$
100 79 91
41
80
67
60 55
40 105
39 180
29
20 65 95 119
121 133
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:Z3,Z6,E8-DODECATRIEN-1-OL
100 79 91
41
80
67
60 55
40 105
39 180
29
20 65 95 119
121 133
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:1,2-DI(2-PROPYNYL)CYCLOHEXANE $$ 1,2-DI-PROP-2-YNYL-CYCLOHEXANE
100 79
80
91
60 41 77
67 117
40 53
27 131 145
20 105 118
95
159
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:6,6-DIMETHYL-2-VINYLIDENE-BICYCLO[3.1.1]HEPTANE $$
100 41 105
133
80
91
60
39 79
40
51 55 69
20 106
63 83 117
70 94 147
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:1,2-DI-PROP-2-YNYL-CYCLOHEXANE $$
100 79
80
91
60 41 77
67 117
40 53
27 131 145
20 105 118
95
159
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
100 41 105 119
91
80
60 55 132
117
40 44 77 93
50 69
65 79 83
20
61
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:(7S,8R,S) 7-Hydroxymethyl-8-methyoxy-cis-bicyclo(4.3.0)-3-nonene $$
100 91
79
80
41
60 54 78 104
117
40 45 132
66
55
20 97 110 150
121 133
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:2H-PYRAN-2-ON, 5,6-DIHYDRO-4-(2-METHYL-3-METHYLEN-1-BUTEN-4-YL)- $$ 4-(3-METHYL-2-METHYLENE-3-BUTENYL)-5,6-DIHYDRO-2H-PYRAN-2-ONE
100 105 91
80 39
119 150
60
O
40 27 79
53 65 133
20 177
94 163 O
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:2H-PYRAN-2-ON, 5,6-DIHYDRO-4-(2-METHYL-3-METHYLEN-1-BUTEN-4-YL)- $$
100 105 91
80 39
119 150
60
40 27 79
53 65 133
20 177
94 163
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:megastigma-7(E),9,13-triene $$
100 91 105
80 41
60
29 39
40 77
119
161 176
55
65 133
20
94 129
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
CompName:2-(ACETYLMETHYL)-(+)-3-CARENE $$
100 43 119
80
60
91 134
40
27 77
69 107 149
20 51 65
81 95 115
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
100 74
80
41 87 93
60 55 119
40 43 69 91
79 105
50
20 59 67
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:13,16-Octadecadiynoic acid, methyl ester (CAS) METHYL 13,16-OCTADECADIYNOATE $$
100 74
80
41 55
60
81 87 Me C C CH 2 C C(CH 2 ) 11 C(O) OMe
40 67
29 92
54
20 39 79 109
101 119
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:8-Nonynoic acid, methyl ester (CAS) Methyl 8-nonynoate $$
100 74
80
41
60 55
67 HC C (CH 2 ) 6 C(O) OMe
40 39 79 94
27 54
81 87
20 45 108
31
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:Cyclopentaneundecanoic acid, methyl ester (CAS) METHYL 11-CYCLOPENTYLUNDECANOATE $$ Methyl dihydrohydnocarpate $$
100 41 74
55
80
60 69 87 (CH 2 ) 10 C(O) OMe
40
20 53 97 143 199
111 123 225
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9,12,15-Octadecatrienoic acid, methyl ester (CAS) Methyl 9,12,15-octadecatrienoate $$
100 41
80
60 55
67 79 Me O C(O) (CH 2 ) 7 CH CH CH 2 CH CHCH 2 CH CHEt
40
95
20 108
38 121 135 149 292
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:12,15-Octadecadiynoic acid, methyl ester (CAS) METHYL 12,15-OCTADECADIYNOATE $$
100 28 43 91
106
80
60 55 Me O C(O) (CH 2 ) 10 C CCH 2 C CEt
31 74
40 45 119
67
59 81
20 94 133
147
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 74
80
41 87 93
60 55 119
40 43 69 91
79 105
50
20 59 67
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:6,9,12-Octadecatrienoic acid, methyl ester (CAS) methyl 6,9,12-octadecatrienoate $$
100 41
80
60 67 79
55 Me (CH 2 ) 4 CH CH CH 2 CH CH CH 2 CH CH (CH 2 ) 4 C(O) OMe
40 39 91
20 105 121 150 163 292
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:14-Pentadecynoic acid, methyl ester (CAS) METHYL-PENTADEC-14-YNOATE $$
100 74
80
60 41 55
81 87
HC C (CH 2 ) 12 C(O) OMe
40 43 67
29 95
20 54 97
65 107 115 129
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:13-Tetradecynoic acid, methyl ester (CAS) METHYL-TETRADEC-13-YNOATE $$
100 74
80
41 55
60 81 HC C (CH 2 ) 11 C(O) OMe
67 87
40 43
29 95
54
20 97
65 107 115 123
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:13,16-Octadecadienoic acid, methyl ester (CAS) METHYL-13,16-OCTADECADIENOATE $$
100 41 55
80 74
60 68
Me CH CH CH 2CH CH(CH 2)11 C(O) OMe
87
40
27
20 109 124 166 180 294
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:2,5-HEXADIENCARBONIC ACID, 4-(2,2-DIMETHYLCYCLOPROPYL)-5-METHYL-, METHYLESTER, CIS $$
100 41 74 93
80
60 107
79
40 28 39
55 119
20 95 121 133 147 166 179
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 74
80
41 87 93
60 55 119
40 43 69 91
79 105
50
20 59 67
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:2,5-HEXADIENCARBONSAEURE, 4-(2,2-DIMETHYLCYCLOPROPYL)-5-METHYL-, METHYLESTER, CIS $$ METHYL 5-(2,2-DIMETHYLCYCLOPROPYL)-6-METHY
100 41 74 93
80 O
60 107 O
79
40 28 39
55 119
20 95 121 133 147 166 179
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:2,5-HEXADIENCARBONIC ACID, 4-(2,2-DIMETHYLCYCLOPROPYL)-5-METHYL-, METHYLESTER, CIS
100 41 74 93
80
60 107
79
40 28 39
55 119
20 95 121 133 147 166 179
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:2-methyl-3-(2,2-dimethylcyclopropyl)-6-methoxycarbonyl-hexan-1,3-diene $$ 2,5-HEXADIENCARBONSAEURE, 4-(2,2-DIMETHYLCYCLOPROPYL)-5-METHYL-, METHY
100 41 74 93
80
60 107
79
40 28 39
55 119
20 95 121 133 147 166 179
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:6-Nonenoic acid, methyl ester (CAS)
100 41 74
55
80
60
67 Et CH CH (CH 2 ) 4 C(O) OMe
39 81 96
40
54 87
15 27
20 97 138
109 123
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:8,11-Octadecadiynoic acid, methyl ester (CAS) METHYL-8,11-OCTADECADIYNOATE $$
100 43 78
80
91
60 55 105 Me O C(O) (CH 2 ) 6 C CCH 2 C C(CH 2 ) 5 Me
40 29 67
119
51 81 95 133
20 65 109 145
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 74
80
41 87 93
60 55 119
40 43 69 91
79 105
50
20 59 67
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:CYCLOPROPANE,-1-BUTYLIDENE,-2-(2-BUTYLCYCLOPROPYL)
100 41
80 79
29
60 55
93
40 67 77
53 107
20 94 121
135 144
31 163
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:Cyclopropanedodecanoic acid, 2-octyl-, methyl ester (CAS) METHYL 13,14-METHYLENE DOCOSANOATE $$
100 41
55
80
60
40 69 Me (CH 2 )7 (CH 2 )11 C(O) OMe
74
20 91 118
26 98 132 334
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:CYCLOPROPANE,-1-BUTYLIDENE,-2-(2-BUTYLCYCLOPROPYL) $$
100 41
80 79
29
60 55
93
40 67 77
53 107
20 94 121
135 144
31 163
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:Undecanoic acid, 10-methyl-, methyl ester (CAS) METHYL 10-METHYLUNDECANOATE $$
100 74
80
87
60
57 Me 2 CH (CH 2 ) 8 C(O) OMe
40 41
20 69 143
29 171 214
97 105 115 129 157 183
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:8,11,14-Eicosatrienoic acid, methyl ester (CAS) METHYL 8,11,14-EICOSATRIENOATE $$
100 43
80
60
55 67 Me (CH 2 ) 4 CH CH CH 2 CH CH CH 2 CH CH (CH 2 ) 6 C(O) OMe
30 79
40 39 71 93
20 54 87 107
97 121 135 145
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 57
80
43 71
60
85
40
41 99
20 70
50 61 78 98
105
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80
43
71
60
Me (CH 2 ) 4 CHMe CH 2 CHMe CHMe 2
85
40
20 29 55 141
39 99
22 77 92 112 169
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
43
80
71
60
Me (CH 2 ) 15 Me
40 85
29 55
20
99 113 127 140 155 169 183 240
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80 43
71
60
85
Me (CH 2 ) 12 Me
40
20 99
39 58 84 127 141 198
111 155 169
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80 43
71
60
85
Me (CH 2 ) 13 Me
40 41
20 29 99
72 111 127 141 155 169 182 212
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80
43 71
60
40 41 85
29 56
20 27 70
83 97 111 126 141 156
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
<< Target >>
100 57
80
43 71
60
85
40
41 99
20 70
50 61 78 98
105
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80
43 71
60
85 Me (CH 2 ) 18 Me
40
41
20 99
27 113 127 141 155 169 183 197 211 225 282
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
SI:90 Formula:C21 H14 FE N2 O3 CAS:74764-11-7 MolWeight:398 RetIndex:0
CompName:Iron, tricarbonyl[N-(phenyl-2-pyridinylmethylene)benzenamine-N,N']- $$ IRON, TRICARBONYL[N-(PHENYL-2-PYRIDINYLMETHYLENE)BENZENAMINE-N,N'] $$
100 57
80
43 71
60
85
40
41
20 99
27 113 127 141 155 169 183 197 211 225 282
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Hexadecane (CAS) n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$
100 57
43
80
60 71
Me (CH 2 ) 14 Me
40
85
20 29
70 99 113
26 125 141 155 169 183 226
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
71
80
43
60
85
40 41
20 55
27 69 83 127 141
97 111 155
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80 43
71
60
85 Me (CH 2 ) 16 Me
40
20 29 99
69 113 127 141 155 169 183 197 211 254
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
<< Target >>
100 57
80
43 71
60
85
40
41 99
20 70
50 61 78 98
105
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Heptacosane (CAS) n-Heptacosane $$
100 57
80 43
71
60
Me (CH 2 ) 25 Me
40 85
20
29 97 113 127
44 141 155 169 183 197 211 225
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 43 57
80
71
60 85 Me 2CH CHMe CH 2 CH 2 CHMe (CH 2 )3 Me
40
20 29 55
99
141
39 72 111 125 155
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Undecane, 4,6-dimethyl- (CAS)
100 57
80 43
60 71 PrCHMe CH 2 CHMe (CH 2 ) 4 Me
40
41
20 29 85
69 113 141
96 184
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
100 57
80 43
71
60
Me (CH 2 ) 11 Me
40 85
41
20
58 113 127 184
77 97 141 155
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Undecane, 6-ethyl- (CAS)
100 57
80
43 71
60
Me (CH 2 ) 4CHEt (CH 2 ) 4 Me
40
41
29
20 85
112
69 96 125 154
140 184
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
<< Target >>
100 57
80
43 71
60
85
40
41 99
20 70
50 61 78 98
105
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Undecane, 3-methyl- (CAS) 3-Methylundecane $$
100 57
80
43
60
71
40 85
29
20
27 99 141
44 67 83 112 126 155
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Octacosane (CAS) n-Octacosane $$
100 57
80 43
71
60
85
Me (CH 2 ) 26 Me
40
41
20 99
27 113 127 141 155 169 183 197 211 225 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Tetracosane (CAS) n-Tetracosane $$
100 57
80 43
71
60
85
Me (CH 2 ) 22 Me
40
41
20 99
27 113 127 141 155 169 183 197 211 225 239 253
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Heptadecane, 2,6,10,15-tetramethyl- (CAS) 2,6,10,15-TETRAMETHYLHEPTADECANE $$
100 57
80 71
60 43
Me 2 CH (CH 2 ) 3 CHMe (CH 2 ) 3 CHMe (CH 2 ) 4 CHMe CH 2 Me
85
40
41
20 99 113
40 127 141 155 169 183 197 211 296
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
CompName:Nonadecane (CAS) n-Nonadecane $$
100 57
80 43 71
60
85
Me (CH 2 ) 17 Me
40
20 29 99
112 127 141 155 169 183 268
196
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
<< Target >>
100 149
80
60 65
76
40 93
105
50 177
20 121
40 51
74 83 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:1,2-BENZOLDICARBONSAEURE, DI-(HEX-1-EN-5-YL-ESTER) $$ BIS(1-METHYL-4-PENTENYL) PHTHALATE
100 149
80 O
60 105 O
O
40 76
50 65
93 122 O
20 29 39
74 176
91 132
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:1,2-BENZOLDICARBONSAEURE, DI-(HEX-1-EN-5-YL-ESTER) $$
100 149
80
60 105
40 76
50 65
93 122
20 29 39
74 176
91 132
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:1,2-Benzenedicarboxylic acid, diethyl ester (CAS) Ethyl phthalate $$ Diethyl phthalate $$ Anozol $$ Phthalol $$ Solvanol $$ Neantine $$ Placidol E $$ Unimoll DA $$ Palatinol A
100 149
80 C(O) OEt
60 C(O) OEt
40 76
57 65 105 177
20 31 41 121
87 93 135 222
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:2-([(1-CYANO-1-METHYLETHYL)AMINO]CARBONYL)BENZOIC ACID # $$ 2-([(1-CYANO-1-METHYLETHYL)AMINO]CARBONYL)BENZOIC ACID $$ 2-{[(1-CYAN
100 149
O
80
60
NH N
40 65
O
39 50 76 105
20 53 93 121 HO
130 172 188 199 214 232
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:ETHYL 4-[(E)-1-AZEPANYLDIAZENYL]BENZOATE # $$ BENZOIC ACID, 4-(1-AZEPINYL)AZO-, ETHYL ESTER $$ ETHYL 4-[(E)-1-AZEPANYLDIAZENYL]BENZOA
100 149
80
O
60 N
N N O
40 41
103
65 76 98 121 177
20 55 275
133 151 230
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
<< Target >>
100 149
80
60 65
76
40 93
105
50 177
20 121
40 51
74 83 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
SI:76 Formula:C8H7NO2 CAS:26866-48-8 MolWeight:149 RetIndex:0
CompName:(2Z)-3-HYDROXY-2-(4-PYRIDINYL)-2-PROPENAL # $$ (2Z)-3-HYDROXY-2-(4-PYRIDINYL)-2-PROPENAL $$ 3-HYDROXY-2-(4-PYRIDINYL)-2-PROPENAL $$ PROP
100 149 OH
O
80
60
39
40 65 120
92 104
51 66
20 37 76
52 94 150 N
80 122
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]- (CAS) Upiol $$ Urodin $$ Nitoin $$ Furina $$ Ituran $$ Cyantin $$ Urolong $$ Furalan $$ Urizept $$ Fur-ren $
100 149 H
N
80 O O
N
60 N
40 CH
O
20 76 93 105 177
65 121 O2 N
14 20 39 51 112 135 169 195 221
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:1,4-Benzenedicarboxylic acid, methyl ester (CAS) Methyl terephthalate $$ Methyl hydrogen terephthalate $$
100 149
80
60
65
40
50 121 180
20 76
38 55 93 103 135
115 151 162
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:1,3-Benzenedicarboxylic acid (CAS) Isophthalic acid $$ m-Phthalic acid $$ m-Benzenedicarboxylic acid $$ Isophthalate $$ m-Dicarboxybenzene $$ Benzene,1,3-dicarboxylic acid
100 149
166
80
HO 2 C CO 2 H
60 65
50
40 105 121
39 45 74
20
93 103 167
61 138
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:BENZOIC ACID, 2-(3,3-DIMETHYL-1-TRIAZENYL)- $$
100 65 121
80 93
44 149
60
40
51 77 193
20 28 91 105
38 66
134
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
<< Target >>
100 149
80
60 65
76
40 93
105
50 177
20 121
40 51
74 83 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:Benzoic acid, 4-formyl- (CAS) Terephthalaldehydic acid $$ 4-Formylbenzoic acid $$ p-Formylbenzoic acid $$ 4-Carboxybenzaldehyde $$ p-Carboxybenzaldehyde $$ Terephthalde
100 149
80
CH O
60
51
40 65 77 121 HO 2 C
105
20 39 45 133 151
55 72 79 85 93 119 132
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:2-(5-METHYL-3-ISOXAZOLYL)-1H-ISOINDOLE-1,3(2H)-DIONE # $$ 2-(5-METHYL-3-ISOXAZOLYL)-1H-ISOINDOLE-1,3(2H)-DIONE $$ N-(5-METHYL-3-ISOXAZOL
100 98
O
80 149
43 N
39 65
60 O
55
N
76
40
93
20 121 O
132 158 201 228
173 185
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:N-(5-METHYL-3-ISOXAZOLYL)PHTHALIMIDE $$
100 98
80 149
43
39 65
60 55
76
40
93
20 121
132 158 201 228
173 185
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl ethyl ester (CAS) ETHYL (ETHOXYCARBONYL)METHYL PHTHALATE $$ ETHYL ESTER WITH ETHYL GLYCOLLAT
100 149
80
C(O) OCH 2 C(O) OEt
60
29
40 76 104
177
C(O) OEt
235
20 27 50 65 93 121 132 222 280
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:2-[(BENZYLOXY)CARBONYL]BENZOIC ACID # $$ 1,2-BENZENEDICARBOXYLIC ACID, MONO (PHENYLMETHYL) ESTER $$ 1,2-BENZENEDICARBOXYLIC AC
100 91
80 65
60 50 O
39 77
149
40 105 122 O
79 HO O
20 38
62 132 151 165
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
<< Target >>
100 149
80
60 65
76
40 93
105
50 177
20 121
40 51
74 83 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
SI:72 Formula:C8H7NO2 CAS:0-00-0 MolWeight:149 RetIndex:0
CompName:BENZOFURAN-2-ONE, 3-METHYL-3-AZA-2,3-DIHYDRO-
100 149
80
60
104
40 77
50 90
20 38
63
134
27 120 151
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:Benzofuran-2-one, 3-methyl-3-aza-2,3-dihydro- $$
100 149
80
60
104
40 77
50 90
20 38
63
134
27 120 151
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:5-AMINO-1,4-DIHYDRO-2,3-QUINOXALINEDIONE # $$ 5-AMINO-1,4-DIHYDRO-2,3-QUINOXALINEDIONE $$ 5-AMINO-1,4-DIHYDRO-QUINOXALINE-2,3-DIONE
100 177
NH O
80
149
60
40 94 NH O
121
20 52 66
78
105
NH2
38 95 131
55 160
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
CompName:N'-[(E)-(4-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-4-NITROBENZOHYDRAZIDE # $$ BENZOHYDRAZIDE, 4-NITRO-N2-(4-HYDROXY-3-METHOXYBE
100 149
O OH
80
60
40 76 104 N
39 51 65 92 134 HN O
20 120 315N
38 165 O O
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
SI:71 Formula:C7 H7 N3 O CAS:4926-18-5 MolWeight:149 RetIndex:0
CompName:1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 5-methyl- (CAS) 5-METHYL-2,3-DIHYDRO-S-TRIAZOLO(4,3-A)PYRIDINE-3-ONE $$ s-Triazolo[4,3-a]pyridin-3-ol, 5-methyl- $$
100 93 149
80 N
NH
60 65
39 66 N
40 O
52
20 150 Me
42 76 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
<< Target >>
100 57
80 43
71
60
85
40 119
20 55 99
9167 77
45 105 149
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
80 43
71
60
85 Me (CH 2 ) 16 Me
40
20 29 99
69 113 127 141 155 169 183 197 211 254
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:Hexadecane (CAS) n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$
100 43 57
80
71
60
Me (CH 2 ) 14 Me
40 85
29
20
69 99 113
15 127 141 155 169 183 226
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
SI:86 Formula:C12 H25 I CAS:73105-67-6 MolWeight:296 RetIndex:0
CompName:1-Iodo-2-methylundecane $$
100 57
43
80
60 71
40 85
29 69
20 99
36 53 86 113 125 149 169
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
80 43
71
60 41 85 Me (CH 2 ) 12 Me
40
29
20 99
72 127 141 198
111 155 169
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
80 43
71
60
85
Me (CH 2 ) 13 Me
40 41
20 29 99
72 111 127 141 155 169 182 212
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
<< Target >>
100 57
80 43
71
60
85
40 119
20 55 99
91
67 77
45 105 149
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:Heptadecane (CAS) n-Heptadecane $$
100 57
43
80
71
60
85
Me (CH 2 ) 15 Me
40
29
55
20 99 113 127 140 155 169 183 240
197
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:DECANE, 2,3,5,8-TETRAMETHYL-
100 57
43
80 71
41
60
40 55 85
27
20 69
83 97 155
111 125
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:DECANE, 2,3,5,8-TETRAMETHYL- $$
100 57
43
80 71
41
60
40 55 85
27
20 69
83 97 155
111 125
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
80 43 71
60
85
Me (CH 2 ) 17 Me
40
20 29 99
112 127 141 155 169 183 196 268
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
43
80
60 71
Me (CH 2 ) 11 Me
40 85
20 99
83 113 127 141 184
44 67 155
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
<< Target >>
100 57
80 43
71
60
85
40 119
20 55 99
9167 77
45 105 149
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
43
80
71
60
Me (CH 2 ) 18 Me
40 41
85
20 99
27 113 127 141 155 169 183 282
197 211 225
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
SI:85 Formula:C27 H55 CL CAS:62016-79-9 MolWeight:414 RetIndex:0
CompName:HEPTACOSANE, 1-CHLORO- $$
100 57
80 43
60 71
40 85
41
20 99
27 113 127 141 155 168 183 414
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 57
71
80 43
60
40 85
20 55
112
27 97 126 140
82 184
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
100 43 57
80
60 71
Me (CH 2 ) 10 Me
40
85
20 56
39 112 127 170
79 96 141
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:Undecane, 2,3-dimethyl- (CAS) 2,3-Dimethylundecane $$
100 43 57
80
71
60
85 Me (CH 2 ) 7 CHMe CHMe 2
40
20 29 140
58 72 86 99 111
30 44 142
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
<< Target >>
100 57
80 43
71
60
85
40 119
20 55 99
91 67 77
45 105 149
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:Dodecane, 2-methyl-6-propyl- (CAS) 2-METHYL-6-PROPYLDODECANE $$
100 57
43
80
71
60 85 Me 2 CH (CH 2 ) 3 CHPr (CH 2 ) 5 Me
40 41
20 140
58 97 113 127 182
79 154 166
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:Octadecane, 6-methyl- (CAS) 6-METHYL OCTADECANE $$
100 57
80 43
60 28
Me (CH 2 ) 11 CHMe (CH 2 ) 4 Me
40 71
20 69 85 98
39 113 127 141 155 168 196
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:OCTANE, 2,3,3-TRIMETHYL- $$
100 43 57
80
71
60
85
40
29
20 113
37 51 65 77 91 97 141
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:Heptadecane, 2,6,10,14-tetramethyl- (CAS) 2,6,10,14-Tetramethylheptadecane $$
100 43 57
80
71
60
PrCHMe (CH 2 )3 CHMe (CH 2 ) 3 CHMe (CH 2 ) 3CHMe 2
40
85
20
53 84 99 113 127 141 154 183 211
169
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
CompName:PENTADECANE, 7-METHYL- $$
100 57
80 43 71
60
40 85
41
20 29
112
97 140
127 155 168 183 197 211 226
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410
<< Target >>
100 83
80
60
43 57
40 119
44 71 91 98 115 197
20 155
69
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:5A-METHYL-3,8-DIMETHYLENE-2-OXODODECAHYDROOXIRENO[2',3':6,7]NAPHTHO[1,2-B]FURAN-6-YL 2-METHYL-2-BUTENOATE $$ BUT-2-ENOIC ACID, 3-M
100 83
80 O O
60 55
O
40
20 39
O
57 67 77 91 100 119 129 143

O
173
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:2-Butenoic acid, 2-methyl-, 2-(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-7,10-dihydroxy-1,1,3,6,9-pentamethyl-4a,7a-epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecen-11-y
100 83
Me
80 Ac O O
55 Me
60 Me
O
Me
40 OH
41 Me CH CMe C(O) O Me
20 27 69 109 122 OH
15 91 137 149 165 391
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:2,2-DIMETHYL-4,6-HEPTADIEN-3-OL
100 57 83
80
60
84
40 41
29 43 OH
20
53
31 65 77 91 107 125 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:
100 57 83
80
60
84
40 41
29 43
20
53
31 65 77 91 107 125 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:1-Tridecyn-4-ol (CAS)
100 55 83
69
80
41
60
HC C CH 2 CH(OH) (CH 2 ) 8 Me
40 29
97
20 27
67 157
45 85 107
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
<< Target >>
100 83
80
60
43 57
40 119
44 71 91 98 115 197
20 155
69
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:Cyclohexane, eicosyl- (CAS) 1-Cyclohexyleicosane $$ Eicosane, 1-cyclohexyl- $$ n-Eicosylcyclohexane $$
100 83
80
(CH 2 ) 19 Me
60
40 43 55
20 69
97
44 58 72 86 111 125 139 153
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:4-Hexen-3-one, 5-methyl- (CAS) 5-METHYL-4-HEXEN-3-ONE $$
100 29 83
55
80
60
39 Me 2 C CHCOEt
40
20 15 43 53 112
77 84 94
30 65
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:Furan, 2,5-dihydro-2,5-dimethyl- (CAS)
100 43 83
80
55 O
60 Me Me
39 98
40
53
20 96
37 49 58 65 77 86
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:7-Oxabicyclo[4.1.0]heptane (CAS) Cyclohexene oxide $$ 1,2-Cyclohexene oxide $$ Cyclohexene, oxide $$ Cyclohexene 1-oxide $$ Cyclohexene epoxide $$ Cyclohexylene oxide
100 83
41
80 O
54
60
39 57
40 27 70
44
29 98
20
51 63 7984
32
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:3-Hexen-2-one (CAS) 1-Butenyl methyl ketone $$ Methyl 1-butenyl ketone $$
100 83
80
55
60
43 Me CO CH CHEt
40 98
39
20 27
2631 38 50 59 69 77 9399
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
<< Target >>
100 83
80
60
43 57
40 119
44 71 91 98 115 197
20 155
69
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:5-ISOPROPENYL-2-METHYL-2-CYCLOHEXEN-1-OL $$ 5-ISOPROPENYL-2-METHYL-CYCLOHEX-2-ENOL
100 41
80 OH
55
60
84
40 70 109
20 53
98
65 77 85 108 119 134 152
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:carveol 1 $$ 5-ISOPROPENYL-2-METHYL-CYCLOHEX-2-ENOL $$
100 41
80 CMe CH 2
55
HO
60
84
40 70 109
Me
20 53
98
65 77 85 108 119 134 152
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:cis,cis - Di(2-oxabicyclo[3.1.0(1,3)]hexyl ether $$ cis,cis - Cyclopentene oxide ether $$
100 83
55
80
60 27
40 39
20 67
51 69 91 99 107 126 165
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:CIS,CIS - CYCLOPENTENE OXIDE ETHER $$ CIS,CIS - DI(2-OXABICYCLO[3.1.0(1,3)]HEXYL ETHER
100 83
55
80
60 27
40 39
20 67
51 69 91 99 107 126 165
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:Octane, 2-chloro- (CAS) 2-Chlorooctane $$ 2-Octyl chloride $$ 1-Methylheptyl chloride $$ 2-CHLORO-OCTANE $$
100 70
80 43
55
83
60
MeCHCl (CH 2 ) 5 Me
40
29
20 39 82
53 63 91 105
15 26 119 135
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
<< Target >>
100 83
80
60
43 57
40 119
44 71 91 98 115 197
20 155
69
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:Cyclohexane, 1,1'-[1-(2,2-dimethylbutyl)-1,3-propanediyl]bis- (CAS) HEPTAN, 1,3-DICYCLOHEXYL-5,5-DIMETHYL- $$
100 28
80
60 CH CH 2 CEtMe 2
CH 2
40 29 CH 2
20 55
39 51 59 69 81 91 111 125
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:Dodecane, 1-chloro- (CAS) 1-Chlorododecane $$ Lauryl chloride $$ Dodecyl chloride $$ n-Dodecyl chloride $$ 1-CHLORDODECAN $$
100 43
57
80
91
60 55
69
Me (CH 2 ) 11 Cl
40
20 83 93 105
36 49 67 77 104111 133
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:Decane, 1-chloro- (CAS) 1-Chlorodecane $$ Decyl chloride $$ n-Decyl chloride $$ 1-CHLORDECAN $$
100 43
80 91
55
60
69 Me (CH 2 ) 9 Cl
40
27
20 83
44 53 63 97 105
77 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:CYCLOHEXANE, OCTYL- $$ 1-CYCLOHEXYLOCTANE $$ OCTYLCYCLOHEXANE $$ CYCLOHEXANE, N-OCTYL- $$ EINECS 217-271-8 $$ N-OCTYLCYCLOHEX
100 83
80
60 55
41
40
20 39 67
196
91 112 125 139 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
CompName:3-Penten-2-one, 4-methyl- (CAS) Mesityl oxide $$ 2-METHYLPENT-2-EN-4-ONE $$ Isopropylideneacetone $$ Methyl isobutenyl ketone $$ Acetone, isopropylidene- $$ Isobute
100 55 83
80
60
43 Me COCH CMe 2
40 39 98
27
20
51
44 56 67 74 84 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
<< Target >>
100 121
41
80 91 136
60 55
77
40 107
69 148
20 53 103 218
133
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ T
100 93 121
136
80 CMe 2
41
60 27 77
43
40 53 105
55 65 Me
20 119
89 132
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:3-OXABICYCLO[3.3.1]NON-6-ENE, 6,8,9-TRIMETHYL-4-SPIROCYCLOPENTANE-
100 121
80 107
60 41
93 O
136
55
40 79
94
20 53 67 133
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:CYCLOOCTANE, 1,5-DIMETHYL-2,6-BIS(METHYLENE)- $$
100 121
80 41
79 136
60 67
93
107
40 27 55
91
20 51 109 149
69 164
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:CYCLOOCTANE, 1,5-DIMETHYL-2,6-DIMETHYLEN-
100 121
80 41
79 136
60 67
93
107
40 27 55
91
20 51 109 149
69 164
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:CYCLOOCTANE, 1,5-DIMETHYL-2,6-DIMETHYLEN- $$
100 121
80 41
79 136
60 67
93
107
40 27 55
91
20 51 109 149
69 164
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
<< Target >>
100 121
41
80 91 136
60 55
77
40 107
69 148
20 53 103 218
133
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:Bicyclo[3.1.0]hexane, 6-isopropylidene-1-methyl- (CAS) 1-METHYL-6-ISOPROPYLIDENEBICYCLO(3.1.0)HEXANE $$ Bicyclo[3.1.0]hexane, 1-methyl-6-(1-methylethyliden
100 121
93
80 Me
60 79 136 Me 2 C
40 39
107
53 67
20 27
15 69 103 117
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:Alloocimene $$ 2,4,6-Octatriene, 2,6-dimethyl- (CAS) (E,E)-2,6-DIMETHYL-2,4,6-OCTATRIENE $$ allo-Ocimene $$ 2,6-Dimethyl-2,4,6-octatriene $$ cis-Allo-ocimene $$ Oci
100 93 121
80
136
60 39
27 79 Me CH CMe CH CHCH CMe 2
40
53 105
20 67
15 26 69 103
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:Phenol, 2,4,5-trimethyl- (CAS) 2,4,5-Trimethylphenol $$ Pseudocumenol $$ 1-Hydroxy-2,4,5-trimethylbenzene $$
100 121 136
OH
80
Me
60 39 91
40 77
27 51 65 Me
20 43
79 Me
55 103 108 115
89
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:.delta.-Elemene $$ Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- (CAS) p-Menth-3-ene, 2-isopropenyl-1-vinyl-, (1S,2R)-(-)- $$ DELTA-ELE
100 93 121
80 136
CH CH 2
60 Me
41
40 CMe CH 2
77 161 i-Pr
43 105
20 53
67
131 148 189 204
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:2,6,6-TRIMETHYL-1-METHYLEN-CYCLOHEX-2-ENE $$ Cyclohexene, 1,5,5-trimethyl-6-methylene- (CAS) .gamma.-Pyronene $$ 1,5,5-TRIMETHYL-6-METHYLENE-CYC
100 121
80 Me
Me
60 93
79 136
40 41 CH 2
77 107
20 27 43 53
65 Me
109 119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
<< Target >>
100 121
41
80 91 136
60 55
77
40 107
69 148
20 53 103 218
133
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:2-ISOPROPYLIDENE-3-METHYL-HEXA-3,5-DIENAL $$
100 91
80 79 121
107
60 39
40 135 150
27 51 65 81
20 109
38 95 123 151
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:Cyclohexene, 5-methyl-3-(1-methylethenyl)-, trans-(-)- (CAS) (-)-TRANS-M-MENTHA-4,8-DIENE $$ CYCLOHEXENE, 5-METHYL-3-ISOPROPENYL-, TRANS $$ 4,8-M-M
100 93
79 136
80 121 Me CMe CH 2
60 107
40
39
27 67
20 53
15 69 103 115
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:Cyclopropane, trimethyl(2-methyl-1-propenylidene)- (CAS) Propene, 2-methyl-1-(trimethylcyclopropylidene)- $$
100 121
80 136 Me
60 41 79 105
91
40 67
53
93 Me C CMe 2
81 Me
20
50 57 69 103
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:4-Cyclopentene-1,3-dione, 4-(3-methyl-2-butenyl)- (CAS)
100 93 121
39 79 O
80
164
60
136
40 53
67 107 149
20 103 Me 2 C CH CH 2 O
117
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:bicyclogermacrene $$ Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (1R*,2Z,6E,10R*)-(.+-.)- (CAS) (.+-.)-Lepidozene $$
100 93 121
80
107
41
60 79
77 105
40 53 67
43 161
20 136 204
147 189
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
<< Target >>
100 121
41
80 91 136
60 55
77
40 107
69 148
20 53 103 218
133
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- (CAS) .alpha.-Irone $$ Methyl-.alpha.-ionone $$ 6-Methyl-.alpha.-ionone $$ .alpha.-Ionone, 6-methyl- $$ 3-Buten-2-one
100 121
43 93 Me
80
136
60 Me
Me Me
40
77
206
20 53 70 81 107 CH 207
CHCO Me
133 149 163 191
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:2-ISOPROPYLIDENE-3-METHYL-HEXA-3,5-DIENAL $$ 3-METHYL-2-(1-METHYLETHYLIDENE)-3,5-HEXADIENAL
100 91
80 79 121
O
107
60 39
H
40 135 150
27 51 65 81
20 109
38 95 123 151
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:5,9,9-TRIMETHYL-SPIRO[3.5]NON-5-EN-1-ONE $$ 5,9,9-TRIMETHYLSPIRO[3.5]NON-5-EN-1-ONE
100 121
O
80 136
60
93
40 107
79
20 27 39 53 94
65 119 150 178
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:5,9,9-TRIMETHYL-SPIRO[3.5]NON-5-EN-1-ONE $$
100 121
80 136
60
93
40 107
79
20 27 39 53 94
65 119 150 178
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
CompName:Camphene $$ Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- (CAS) 3,3-Dimethyl-2-methylenenorbornane $$ 2,2-Dimethyl-3-methylenenorbornane $$ 3,3-Dimethyl-2-methylen
100 93 121
80 Me
60 Me
136
40 41 67
79
107
77
20 53 CH 2
43 65 108
89 96 119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
<< Target >>
100 57
43
80 41 69 83
97
60 71
111
40
98
20 51 59 74 81 105
46 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
100 41 55
80 83
97
60
40 111
20 27 125
140 154 280
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
SI:90 Formula:C36 H75 O3 P CAS:19047-85-9 MolWeight:587 RetIndex:0
CompName:Phosphonic acid, dioctadecyl ester (CAS) Di(n-octadecyl) phosphite $$ Dioctadecyl phosphite $$ Dioctadecyl phosphonate $$ Distearyl phosphite $$ Phosphorous acid, dioctadecy
100 55 69 83
43
80
97
60 O
Me (CH 2 )17 O PHO(CH 2 )17 Me
40 111
29 136
20 96 125
14 39 73 139 151
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
100 55
83
80
41 97
60
Me (CH 2 ) 7 CH CH (CH 2 ) 9 Me
40 111
20 27 125
140 154 168 280
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Hexadecene (CAS) Cetene $$ 1-Cetene $$ n-Hexadec-1-ene $$ .alpha.-Hexadecene $$ HEXADECENE-1 $$ Hexadecylene-1 $$
100 43 55 83
69
80 97
60
H 2 C CH(CH 2 ) 13 Me
40 29 111
20 18 125
110 139 154 196 224
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
100 41 57 69
80 83
60 70 97
40 29 111
20 125
139 153 168 252
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 57
43
80 41 69 83
97
60 71
111
40
98
20 51 59 74 81 105
46 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Nonadecene (CAS)
100 43 57
83
80 69 97
60 70 H 2 C CH(CH 2 ) 16 Me
40 111
29
20 125
53 86 109 139 153 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Hexadecanol (CAS) Cetal $$ Ethal $$ Ethol $$ Cetanol $$ Cetylol $$ Adol 52 $$ Lanol C $$ Adol 54 $$ Lorol 24 $$ Alfol 16 $$ Aldol 54 $$ Atalco C $$ Cetaffine $$ Loxanol
100 43 55
80 69 83
41
60 97
Me (CH 2 ) 15 OH
40 29
111
20 98
125
15 139 154 168 196 224
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:CYCLOEICOSANE $$
100 55
80 41
83
60 97
40
111
20 27 125
140 154 168 252 280
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
100 55
43 69
80 83
60 97
Me (CH 2 ) 7 CH CH (CH 2 ) 7 Me
40 29
111
20 125
139 153 252
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Octadecene (CAS) .alpha.-Octadecene $$
100 43 57
80 83
97
69
60 70 H 2 C CH(CH 2 ) 15 Me
40 29
111
20 125
139 153 168 182 224 252
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 57
43
80 41 69 83
97
60 71
111
40
98
20 51 59 74 81 105
46 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Heptadecanol (CAS) n-Heptadecanol $$ Heptadecyl alcohol $$ Heptadecan-1-ol $$ 1-Hydroxyheptadecane $$ Prim-n-heptadecyl alcohol $$
100 43 55
80 69 83
60
29 Me (CH 2 ) 16 OH
40 97
20 85 111
18 125 140 154 182 210 238
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:3-Hexadecene, (Z)- (CAS)
100 41 55 69
80
83
60 97 Me (CH 2 ) 11 CH CHEt
40 29
111
20 98
125 224
139 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Tetradecanol (CAS) Alfol 14 $$ Tetradecanol $$ Loxanol V $$ Lanette K $$ Lanette Wax KS $$ n-Tetradecanol $$ Myristic alcohol $$ Myristyl alcohol $$ n-Tetradecan-1-ol $$
100 43 55
80 41
69
83
60
Me (CH 2 ) 13 OH
40 97
20 31 81
98 111
58 125 140 168
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Heptadecene (CAS) Hexahydroaplotaxene $$
100 43 57
80
69 83 97
60
70
H 2 C CH(CH 2 ) 14 Me
29
40
111
20 125
139 153 238
168 181 210
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:Cyclotetracosane (CAS)
100 43 57
83
80
41 97
60
40
111
20 125
27 139 154 336
168 182
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 57
43
80 41 69 83
97
60 71
111
40
98
20 51 59 74 81 105
46 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-TRICOSENE $$
100 43 57
83
80 97
60 41
40 111
20 125
26 140 154 168 182 322
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9-Tricosene, (Z)- (CAS) Muscalure $$ cis-9-Tricosene $$ (Z)-9-Tricosene $$ (9Z)-Tricosene $$
100 55 83
41 97
80
60
111 Me (CH 2 )7 CH CH(CH 2 )12 Me
40
125
20 322
27 139
154
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:ETHYLCYCLODOCOSANE $$ CYCLODOCOSAN, ETHYL-
100 55
83
80 97
41
60
40 111
20 125 307
27 139 153 167
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:CYCLODOCOSANE, ETHYL-
100 55
83
80 97
41
60
40 111
20 125 307
27 139 153 167
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1-Octadecanol (CAS) Stenol $$ Sipol S $$ Stearol $$ Lanol S $$ Aldol 62 $$ Alfol 18 $$ Lorol 28 $$ Atalco S $$ Siponol S $$ Crodacol-S $$ Siponol SC $$ Steraffine $$ Follest
100 43 55 83
69
80 97
60
70 Me (CH 2 ) 17 OH
40 29
111
20 125
139 153 168 182 224 252
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 57
80 71
43
60 85
40 41
99
20 69 86
50 58 63 77 91 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:Dodecane, 1-iodo- (CAS) n-Dodecyl iodide $$ Dodecyl iodide $$ Lauryl iodide $$ 1-Iodododecane $$ DODECAN, 1-JODO- $$
100 57
80 71
60 43 85 Me (CH 2 ) 11 I
40
20 29 69 99 155
39 113 127 169
141 183 197
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
43
80
71
60
Me (CH 2 ) 15 Me
40 85
29 55
20
99 113 127 140 155 169 183 240
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80
43 71
60
40 41 85
29 56
20 27 70
83 97 111 126 141 156
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 43
71
60
85
Me (CH 2 ) 13 Me
40 41
20 29 99
72 111 127 141 155 169 182 212
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 43
71
60
85
Me (CH 2 ) 12 Me
40
20 99
39 58 84 127 141 198
111 155 169
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
<< Target >>
100 57
80 71
43
60 85
40 41
99
20 69 86
50 58 63 77 91 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:Heptadecane, 2,6,10,15-tetramethyl- (CAS) 2,6,10,15-TETRAMETHYLHEPTADECANE $$
100 57
80 71
60 43
Me 2 CH (CH 2 ) 3 CHMe (CH 2 ) 3 CHMe (CH 2 ) 4 CHMe CH 2 Me
85
40
41
20 99 113
40 127 141 155 169 183 197 211 296
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:Hexadecane (CAS) n-Hexadecane $$ Cetane $$ n-Cetane $$ Isohexadecane $$ HEXADECAN $$
100 43 57
80
71
60
Me (CH 2 ) 14 Me
40 85
29
20
69 99 113
15 127 141 155 169 183 226
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:DECANE, 2,3,5,8-TETRAMETHYL-
100 57
43
80 71
41
60
40 55 85
27
20 69
83 97 155
111 125
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:DECANE, 2,3,5,8-TETRAMETHYL- $$
100 57
43
80 71
41
60
40 55 85
27
20 69
83 97 155
111 125
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
71
80 43
60
40 85
20 55
112
27 97 126 140
82 184
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
<< Target >>
100 57
80 71
43
60 85
40 41
99
20 69 86
50 58 63 77 91 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 43
71
60
Me 2 CH CH 2 CH 2 CHPr (CH 2 ) 3 Me
40 85
20 29
112
58 72 86 99 126 140
35 44
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 71
43
60
Me 2CH (CH 2) 3CHMe (CH 2 )4 CHMe 2
40
85
20 29
39 69 99 113 127 140 155 169 197 207
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
71
80
43
60
85
40 41
20 55
27 69 83 127 141
97 111 155
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 71
43
60
Me CH 2 CHMe CH 2 CH 2 CHMe (CH 2 ) 4 CHMe 2
40
29 85
20 70
39 99 113 127 140 155 169 183 197
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 43
71
60
85 Me (CH 2 ) 16 Me
40
20 29 99
69 113 127 141 155 169 183 197 211 254
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
<< Target >>
100 57
80 71
43
60 85
40 41
99
20 69 86
50 58 63 77 91 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:Hexadecane, 1-iodo- (CAS) 1-Iodohexadecane $$ Cetyl iodide $$ Hexadecyl iodide $$ n-Hexadecyl iodide $$
100 57
80 71
43
60 85
28 Me (CH 2 ) 15 I
40
55
20 99
113 155 225
18 127 135 141 169 183 196 211 219
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
43
80
71
60
Me (CH 2 ) 18 Me
40 41
85
20 99 113 127 141 155 169 183 282

26 197 211 225
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
43
80
60 71
Me (CH 2 ) 10 Me
40 85
29
20 27 84 170
99 113 127
51 67 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
CompName:Heptane, 2,2,3,3,5,6,6-heptamethyl- (CAS) 2,2,3,3,5,6,6-Heptamethylheptane $$
100 57
80
60
85 Me 3 C CMe 2 CH 2 CHMe CMe 3
40 41
71
20 84
99
53 140
65 77 91 113 125
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
100 57
80 43 71
60
85
Me (CH 2 ) 17 Me
40
20 29 99
112 127 141 155 169 183 268
196
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
<< Target >>
100 74
80
60 87
43
40 55
41
20 59
69 80
46 53 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Hexadecanoic acid, 15-methyl-, methyl ester (CAS) METHYL-15-METHYL HEXADECANOATE $$ Methyl isoheptadecanoate $$ Methyl 15-methylhexadecanoate $$
100 74
80
87
60
43 Me 2 CH (CH 2 ) 13 C(O) OMe
40
55
20 29 69 143
97 111 129 185 199 241
157 171
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Pentadecanoic acid, 14-methyl-, methyl ester (CAS) METHYL 14-METHYL-PENTADECANOATE $$ 14-METHYL-PENTADECANSAEUREMETHYLESTER $$ methyl 14-m
100 74
80
60 87
43 Me 2 CH (CH 2 ) 12 C(O) OMe
40
55
20 29 69 143
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
CompName:Hexadecanoic acid, methyl ester (CAS) Methyl palmitate $$ Methyl hexadecanoate $$ Methyl n-hexadecanoate $$ Uniphat A60 $$ Metholene 2216 $$ Palmitic acid methyl ester $
100 74
80
87
60
43 Me (CH 2 ) 14 C(O) OMe
40 55
20 69
44 97 143
111 129 171 185 227
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Octadecanoic acid, methyl ester (CAS) Methyl stearate $$ Methyl octadecanoate $$ Methyl n-octadecanoate $$ Stearic acid methyl ester $$ Kemester 9718 $$ Stearic acid, methyl
100 74
80 87
60 43 Me (CH 2 ) 16 C(O) OMe

40 55
41
20 69 143
88 97 111 129 199
157 185
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Nonadecanoic acid, methyl ester (CAS) Methyl nonadecanoate $$ Nonadecanoic acid methyl ester $$
100 74
80
87
60
43 Me (CH 2 ) 17 C(O) OMe
40 41
57
20 143
27 101 129 199 269 281 312
115 157 185 213
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 74
80
60 87
43
40 55
41
20 59
69 80
46 53 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Heptadecanoic acid, methyl ester (CAS) Methyl heptadecanoate $$ Methyl margarate $$ Margaric acid methyl ester $$ n-Heptadecanoic acid methyl ester $$ HEPTADECANCARB
100 74
80
60 87
43 Me (CH 2 ) 15 C(O) OMe
40 55
20 69 143
101 129 185 199 241 284
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Pentadecanoic acid, methyl ester (CAS) Methyl pentadecanoate $$ PENTADECANOIC ACID-METHYL ESTER $$ Methyl n-pentadecanoate $$ Pentadecanoic acid methyl ester
100 74
80 87
60
43 Me (CH 2 ) 13 C(O) OMe
40 55
20 69
97 143
111 129 157 171 185 199 213 256
225
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Heptadecanoic acid, 16-methyl-, methyl ester (CAS) Methyl isostearate $$ Methyl 16-methylheptadecanoate $$
100 74
80
43
60 87
Me 2 CH (CH 2 ) 14 C(O) OMe
40 41
57
20 143
39 101 115 129 157 185 199 213 255 298
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Decanoic acid, methyl ester (CAS) Methyl caprate $$ Methyl decanoate $$ Capric acid methyl ester $$ Uniphat A30 $$ Metholene 2095 $$ Methyl caprinate $$ Methyl-n-caprate $
100 74
80
87
60 43
Me (CH 2 ) 8 C(O) OMe
40 55
29
20 59 75
143 155
31 101 129
115 186
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Heneicosanoic acid, methyl ester (CAS) Methyl heneicosanoate $$ Methyl henelcosanoate $$
100 74
80
87
60 43
40 41 57
20 143
39 101 115 129 185 199 340
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 74
80
60 87
43
40 55
41
20 59
69 80
46 53 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Tetracosanoic acid, methyl ester (CAS) Methyl lignocerate $$ Methyl tetracosanoate $$ Lignoceric acid methyl ester $$ tetracosanoic (24 : 0)acid methyl ester $$
100 74
80 43
87
60
57
40 41
20 143
15 27 101 115 129 185 199 339 382
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Methyl 6-methyl heptanoate $$
100 28 74
80
60 87
43
40 41
55
32 69 82
20
53 93 101 109
126
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Tetradecanoic acid, methyl ester (CAS) Methyl myristate $$ Methyl tetradecanoate $$ Methyl n-tetradecanoate $$ Myristic acid methyl ester $$ Uniphat A50 $$ Metholeneat 2495
100 74
80
87
60
40 43
55
20 29
69 143
101 111 129 157 185 199 211 242
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
SI:87 Formula:C19 H36 D2 O2 CAS:54934-63-3 MolWeight:298 RetIndex:0
CompName:METHYL 13,14-DIDEUTERO-OCTADECANOATE $$
100 74
80
87
60
Me (CH 2 ) 3 CHD CHD (CH 2 ) 11 C(O) OMe
40
41
20 57
143
18 27 101 115 129 199 257 269 300
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
SI:87 Formula:C19 H36 D2 O2 CAS:19905-57-8 MolWeight:298 RetIndex:0
CompName:METHYL 17,18-DIDEUTERIOOCTADECANOATE $$
100 74
80
87
60
DCH 2 CHD (CH 2 ) 15 C(O) OMe
43
40 41
69 115
20 143
15 101 129 257 300
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 74
80
60 87
43
40 55
41
20 59
69 80
46 53 97 105
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:METHYL STEARATE $$ STEARINSAEUREMETHYLESTER
100 74
80
87
60 O
O
40 41
20 57
143 255 267 298
39 101 115 129 185 199 213
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Dodecanoic acid, methyl ester (CAS) Methyl laurate $$ Methyl dodecanoate $$ Methyl n-dodecanoate $$ Lauric acid methyl ester $$ Metholene 2296 $$ Methyl laurinate $$ Meth
100 74
80
60 87
40 29
41
55
15
20 75
101 129 143 171 183 214
115
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Tridecanoic acid, methyl ester (CAS) Methyl tridecanoate $$ METHYL N-TRIDECANOATE $$ Tridecanoic acid methyl ester $$ Methyl ester of tridecanoic acid $$ n-Tridecanoic
100 74
80
87
60
40 43
55
20 29
69
15 101 111 129 143 185 197
157 171 228
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Eicosanoic acid, methyl ester (CAS) Arachidic acid methyl ester $$ Methyl arachate $$ Methyl eicosanoate $$ METHYL N-EICOSANOATE $$ EICOSANOIC ACID METHYL E
100 74
80
43
60 87
40 41
57
20 143
39 101 115 129 157 185 199 227 283
171 326
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Nonanoic acid, methyl ester (CAS) Methyl nonanoate $$ Methyl n-nonanoate $$ Nonanoic acid methyl ester $$ Methyl nonylate $$ Methyl pelargonate $$ Pelargonic acid methyl e
100 74
80
87
60 43
40
29 55
20 69 88 101 129 141
60 115
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 43 60 73
80
60
40 83
20 101 115 129
256
143 157 171 185 199 213 227 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:9-Octadecenoic acid (Z)- (CAS) Oleic acid $$ Red oil $$ Oelsauere $$ Oleine 7503 $$ Pamolyn 100 $$ Emersol 211 $$ Vopcolene 27 $$ cis-Oleic acid $$ Wecoline OO $$ Z-9-Oc
100 73
41 55
80
60 69
Me (CH 2 ) 7 CH CH (CH 2 ) 7 CO 2 H
40 83
129
97
20 96 111 185
143 157 171 199
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
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
80 57
60
HO 2 C (CH 2) 14 Me
40
85 129
20 97
115 213
157 171 185 256
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Octadecanoic acid (CAS) Stearic acid $$ n-Octadecanoic acid $$ PD 185 $$ NAA 173 $$ Vanicol $$ Kam 3000 $$ Kam 1000 $$ Kam 2000 $$ Neo-Fat 18 $$ Steric acid $$ Hystr
100 28 43 73
60
80
60 41
HO 2 C (CH 2 ) 16 Me
40 129
85
20 98
115 185 241 284
143 171 199
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Pentadecanoic acid (CAS) Pentadecylic acid $$ n-Pentadecanoic acid $$ n-Pentadecylic acid $$ Pentadecyclic acid $$ PENTADECANSAEURE $$ 14FA $$
100 43 60 73
80 55
60
29
HO 2 C (CH 2) 13 Me
40
83 129 242
20 97
115 199
143 157 185
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Docosanoic acid (CAS) Behenic acid $$ Glycon B-70 $$ Hydrofol 2022-55 $$ Hydrofol Acid 560 $$ n-Docosanoic acid $$ 1-Docosanoic acid $$
100 43
57
73
80
60
41 HO 2 C (CH 2) 20 Me
40 29
85 129
20 98
115 340
171 185 241 297
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 43 60 73
80
60
40 83
20 101 115 129
256
143 157 171 185 199 213 227 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:STEARIC ACID $$ STEARINSAEURE
100 43 57 73
80 41
60 HO
O
40 29
284
85
98 129
20 115 185 241
143 171 255
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:TETRADECANOIC ACID $$ METHYL TRIDECANOATE $$ MYRISTIC ACID $$ TETRADECANOATE $$ 1-TRIDECANECARBOXYLIC ACID $$ 2-(1-METHYL-2-NIT
100 43 60 73
80
60 HO
29 O
40 129
85 185 228
20 45 97 115 171
143 157
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Eicosanoic acid (CAS) Arachidic acid $$ Arachic acid $$ Icosanoic acid $$ Arachidic acid,synthetic $$ n-Eicosanoic acid $$ ARACHINSAEURE $$ N-HEPTYL-2-{2-[(HEPTYL
100 43
57
80 41 73
60
HO 2 C (CH 2) 18 Me
40
85 129
20 27
98
115 171 185 269 312
143 157 199 213 227 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:PALMITIC ACID $$ PALMITINSAEURE
100 43 73
80 57
87
60 HO
O
40 29
129
20 97 115 143 213
157 171 185 227 256
199 239
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:TRIDECANOIC ACID $$ AI3-04166 $$ BRN 0508317 $$ EINECS 211-341-1 $$ N-TRIDECANOIC ACID $$ N-TRIDECOIC ACID $$ NSC 25955 $$ NSC 69131 $$ TRIDE
100 60 73
43
80 41
60 HO
29 O
40 69 129
85
20 115 171
97 214
111 143 157 185
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 43 60 73
80
60
40 83
20 101 115 129
256
143 157 171 185 199 213 227 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:NONADECANOIC ACID $$ AI3-36442 $$ EINECS 211-472-4 $$ N-NONADECANOIC ACID $$ NSC 11914
100 43
80 57 73
41
60 HO
O
40 129
85
20 27 98
115 185
298
143 171 199 241 255 285
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Decanoic acid (CAS) Capric acid $$ Decoic acid $$ Decylic acid $$ Caprynic acid $$ Caprinic acid $$ n-Decoic acid $$ n-Capric acid $$ n-Decylic acid $$ n-Decanoic acid $$ 1-N
100 43 60 73
55
80
129
60
69
87
HO 2 C (CH 2 ) 8 Me
40 39 115
20 143
46 81 88 97 110 130
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester (CAS) GLYCEROL 1,3-DIHEXADECANOATE $$ 1,3-Dipalmitin $$ Palmitin, 1,3-di- $$ 1,3-Dipalmitoylglycerol $$ 1,3-Dip
100 43
80 57
41
73
60
Me (CH 2 ) 14 C(O) O CH 2 CH(OH) CH 2 OC(O) (CH 2 ) 14 Me
98
40 129
27 84 116 239
20 213
256
157 171 185 313 367
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:HENEICOSANOIC ACID $$ HENICOSANOIC ACID $$ HENICOSANOIC ACID # $$ EINECS 219-113-3 $$ HENICOSANOIC ACID (COMPUTER-GENERATED NAME)
100 43
80 57 73
41
60 HO
O
40 326
85 129
98
20 27 115 283
171 185 227 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:HEPTADECANOIC ACID $$ POTASSIUM HEPTADECANOATE $$ SODIUM HEPTADECANOATE $$ AI3-36481 $$ BRN 1781004 $$ EINECS 208-027-1 $$ EINECS 213
100 43
73
80 60
60 HO
29 O
40 270
129
20 83 97 227
111 171 185
143 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 43 60 73
80
60
40 83
20 101 115 129
256
143 157 171 185 199 213 227 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
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 $$ Laurostearic
100 60 73
80 41
60
29 HO 2 C (CH 2) 10 Me
40 71 85 129
20 157 200
101
111 138 171
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:MYRISTIC ACID $$ MYRISTINSAEURE
100 60 73
43
80
60 55 HO
29 129 O
40 228
85 185
20 97 115 143
166 199
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
SI:88 Formula:C12 H24 AG O2 CAS:18268-45-6 MolWeight:307 RetIndex:0
CompName:Dodecanoic acid, silver(1+) salt (CAS) Silver laurate $$ Lauric acid, silver(1+) salt $$
100 73
43 60
80 HO 2 C (CH 2) 10 Me
41
60 183
71 85
40 129
29 98
157 @ Ag(I)
20 115
111 138 171 200
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Dodecanamide, N,N-bis(2-hydroxyethyl)- $$ Bis(2-hydroxyethyl)lauramide $$ LDA $$ LDE $$ Clindrol Superamide 100L $$ Clindrol 200L $$ Comperlan LD $$ Condensate PL
100 60 73
80
60 41 CO(CH 2 ) 10 Me
40 HO CH 2 CH 2 NCH 2 CH 2 OH
29 71 85 129
20 115 157
101
111 138 171 200
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Hexadecanoic acid, 2,3-dihydroxypropyl ester (CAS) 1-Monopalmitin $$ GLYCEROL-1-HEXADECANOATE $$ Palmitin, 1-mono- $$ Glyceryl palmitate $$ .alpha.-Monopalmiti
100 41 55 73
80 60
28 98
60 OH
Me (CH 2 ) 14 C(O) O CH 2 CHCH 2 OH
40 129 256
20 99 112 213
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 67
80 81
60 95
40
40 54 110
20 121
281
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:9,12-Octadecadienoic acid (Z,Z)- (CAS) Linoleic acid $$ Linoleic $$ Unifac 6550 $$ Linolic acid $$ Telfairic acid $$ Grape seed oil $$ Polylin No. 515 $$ cis,cis-Linoleic acid $$
100 67
80
81
60
HO 2 C (CH 2 ) 7 CH CH CH 2 CH CH (CH 2 ) 4 Me
95
40 54
107
20
41 122 136 150 280
164 182 195 210 224 261
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Bicyclo[2.2.1]heptane, 2-methyl-, exo- (CAS) EXO-2-METHYLBICYCLO(2,2,1)HEPTANE $$ exo-2-Methylnorbornane $$ Norbornane, 2-methyl-, exo- $$ exo-2-Methylbicyclo
100 67
80 41 81 Me
60 95
40 54
20 66 110
38 43 50 77 83 91
62 71 105 111
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Bicyclo[2.2.1]heptane, 2-methyl- (CAS) 2-METHYLBICYCLO(2,2,1)HEPTANE $$ 2-Methylnorbornane $$ Norbornane, 2-methyl- $$ 2-Methylbicyclo[2.2.1]heptane $$
100 67
28
68
80 81
Me
60 41 95
18
40
54 110
20 44 56
5 32 79 91 109
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:1,E-8,Z-10-Tridecatriene $$
100 67
80
41
60 82
55 95
40
20 107 178
43 65 83 121 135 149
105 179
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Cyclododecyne (CAS)
100 67
80 79
60 41
55
93
40 121
27 107
20 52 69 91 135
109
149 164
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 67
80 81
60 95
40
40 54 110
20 121
281
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:CYCLOHEPTENE, 1-METHYL- $$
100 67
80
81 95
60 41
110
40 54
27 53 69
20
77 91
38 45 63
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:1,2-DIETHYLCYCLOBUTENE PLUS 1-ETHYL-2-ETHYLIDENECYCLOBUTANE
100 67
81
80
27 95
39
60
53
40 110
20 15 42 65 77
2 96
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:1,2-diethylcyclobutene plus 1-ethyl-2-ethylidenecyclobutane $$
100 67
81
80
27 95
39
60
53
40 110
20 15 42 65 77
2 96
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:BICYCLO[10.1.0]TRIDEC-1-EN (ISOMER 2) $$ BICYCLO[10.1.0]TRIDEC-1-ENE $$
100 41 67 81
80
55
60
93
40 27 39
107 121
135
20 65 149 163 178
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:4,5-Nonadiene (CAS)
100 67
80
60 41 81 95
55 Pr CH C CHPr
40 82
20 65
42 50 57 91 97 105 124
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 67
80 81
60 95
40
40 54 110
20 121
281
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:1,5-Cyclododecadiene, (Z,Z)- (CAS)
100 67
54
80 81
41
60
40 121
93
20 27 69 107 135
51 91 149 164
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:2-methylmethylenecyclohexane $$ Cyclohexane, 1-methyl-2-(methylene-d2)- (CAS)
100 67 81 95
80
110
60
41
40 55 69
27 53
20 29 77 91
45 62 87
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:10,12-HEXADECADIEN-1-OL $$ 10,12-HEXADECADIEN-1-OL, (E,Z)-
100 67 HO
80 81
60
41
55 95
40
109
20 29 121 238
135
149
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:Cyclooctene, 3-ethenyl- (CAS) CYCLOOCTENE, 3-VINYL- $$
100 67
79
80
CH CH 2
41
60
40 27
54
93
77 107
20 53 65 121
42 89 96 136
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
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
80 81
60
41 HO (CH 2 ) 9CH CHCH CHPr
55 95
40
109
20 29 121 238
135
149
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 67
80 81
60 95
40
40 54 110
20 121
281
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:3-Octyne (CAS) Butylethylacetylene $$ Ethylbutyl acetylene $$ 1-Ethyl-2-butylacetylene $$ Ethylbutylacetylene $$ C4H9C.$.CC2H5 $$
100 67
80 41 81
60 27
53 95
Me (CH 2 ) 3C CEt
40
29 55
20 77
110
38 63 69 91
44
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:trans,Trans-8,10-dodecadien-1-ol $$ trans-8,trans-10-Dodecadien-1-ol $$ 8,10-Dodecadien-1-ol $$ E,E-8,10-Dodecadien-1-ol $$ trans-8,trans-10-Dodecadienol $$
100 68 81
80
60
40 41 55 82
20 93 182
43 65 98 107 121 135 164
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:1,5-CYCLODODECADIENE $$ 1,5-CYCLODODECADIENE, (Z,E)-
100 54 67
80 81
41
60
121
40
93
20 27 53 107 135
77 110 164
149
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:8,10-DODECADIEN-1-OL
100 68
81
80
60
41 OH
40 55
93
20 29 69 182
43 107 121 135 164
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
CompName:7-METHYL-BICYCLO[2,2,1]HEPTANE
100 81
67
80
60 41
40 54
27 95
20 110
43 66 77
15
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280
<< Target >>
100 55
80
41 69
60 83
97
40
20 101 123
133 281
207
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:METHYL 9-OCTADECENOATE $$ METHYL-9-OCTADECENOATE
100 55
41
80
60 69 O
O
40 29 83
97
20 110 123 137 180 222 264
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:13-Docosenoic acid, methyl ester, (Z)- (CAS) Methyl erucate $$ Erucic acid methyl ester $$ Methyl (Z)-13 docosenoate $$ Methyl 13-docosenoate(methyl erucate) $$ Methyl cis-1
100 55
80 69
41
60 74
Me (CH 2 )7 CH CH (CH 2) 11 C(O) OMe
40 97 320
98
20 27
123 138 236 278
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:9-Octadecenoic acid (Z)-, methyl ester (CAS) Methyl oleate $$ Methyl cis-9-octadecenoate $$ Oleic acid methyl ester $$ Oleic acid, methyl ester $$ Emery oleic acid ester 2301 $$
100 55
80 41
69 74
60
Me OC(O) (CH 2) 7 CH CH(CH 2) 7Me
40 87
29
20 110
123
137 180 222 264
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:9-Octadecenoic acid, methyl ester, (E)- (CAS) Methyl elaidate $$ METHYL-TRANS 9-OCTADECENOATE $$ Elaidic acid methyl ester $$ Elaidic acid, methyl ester $$ Methyl tr
100 41 55
80
60
69 74
40 83
97
20 111
123 137 151 180 264
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:15-Tetracosenoic acid, methyl ester (CAS) METHYL 15-TETRACOSENOATE $$
100 55
80
41
60 69
74 Me (CH 2 )7 CH CH (CH 2) 13 C(O) OMe
40
97 348
20 27 98
123 138 306
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 55
80
41 69
60 83
97
40
20 101 123
133 281
207
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:10-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-10-ENOATE $$
100 55
80 41
69
60 74
40 87
29
264
20 110
123 222
137 180
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:Cyclopropaneoctanoic acid, 2-hexyl-, methyl ester (CAS) METHYL 9,10-METHYLENE HEXADECANOATE $$
100 55
80 41
69
74
60
83
40 96 Me (CH 2) 5 (CH 2)7 C(O) OMe
29
20 110
123 138 152 166 208 250
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:7-Hexadecenoic acid, methyl ester, (Z)- $$
100 41 55
80
74
60 69 Me OC(O) (CH 2) 5 CH CH(CH 2) 7Me
83 96
40
20 110 123
53 137 152
101 194
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
100 55
80
41
60 69 74
Me O C(O) (CH 2 ) 14 CH CH Me
87
40
29 264
20 111
222
123 138 152 180
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:METHYL DIHYDROMALVALATE
100 55
80 41
69
60
83
40 97
29
20 111
123 139 152 264
166
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 55
80
41 69
60 83
97
40
20 101 123
133 281
207
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:methyl dihydromalvalate $$
100 55
80 41
69
60
83
40 97
29
20 111
123 139 152 264
166
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
100 55
80 41
60 69 74
Me O C(O) (CH 2 ) 12 CH CH Pr
40 87
29 264
20 111
125 222
138 152 180
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:15-Tetracosenoic acid, methyl ester, (Z)- (CAS) Methyl nervonate $$ CIS-15-TETRACOSENSAEURE, METHYLESTER $$
100 55
41
80
69
60 83 Me (CH 2 )7 CH CH (CH 2) 13 C(O) OMe
97
40 74
81
20 59 111
123
39 101 112 138
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:11-Octadecenoic acid, methyl ester, (Z)- (CAS) METHYL CIS OCTADEC-11-ENOATE $$ Methyl cis-octadec-11-enoate $$ cis-11-Octadecenoic acid methyl ester $$ cis-Vaccenic
100 55
80 41
69
60 74
Me (CH 2 )5 CH CH (CH 2 )9 C(O) OMe
87
40
98 264
20 27 123 180 222
137 152 296
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
100 55
80
41
60 69 74
Me (CH 2 )3 CH CH (CH 2) 11 C(O) OMe
40 87
29 264
20 111
123 222
138 152 180
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 55
80
41 69
60 83
97
40
20 101 123
133 281
207
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:17-Octadecenoic acid, methyl ester (CAS) METHYL OCTADEC-17-ENOATE $$ METHYL CIS-OCTADECA-17-ENOATE $$
100 55 74
80 41
87
69
60
H 2 C CH (CH 2 ) 15 C(O) OMe
40
29 264
20 111
123 180 222
138
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:9-Hexadecenoic acid, methyl ester, (Z)- (CAS) Methyl palmitoleate $$ Methyl palmitoleinate $$ Palmitoleic acid, methyl ester $$
100 41 55
80
60 69 Me (CH 2 )5 CH CH (CH 2 )7 C(O) OMe
40 83
97
56
20 110 123 194
138 152 236
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:10-Nonadecenoic acid, methyl ester (CAS) METHYL 10-NONADECENOATE $$
100 55
80 41
69
60 74
97
40 98 278
20 27 123 194 236

137
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
CompName:11-Octadecenoic acid, methyl ester (CAS) Methyl 11-octadecenoate $$ OCTADEC-11-ENOIC ACID METHYL ESTER $$
100 55
41
80
60 69
74
40 29
87
20 111 264
123 137 180 222
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
100 41 55
80 69
74
60
87 Me O C(O) (CH 2 ) 13 CH CH Et
40
29 264
20 111
123 138 180 222
152
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370
<< Target >>
100 55
41
80 69
60 81
40 97
20 110
123 137 151 165 180 193 207 221 264 280
235 253
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9,12-Octadecadienoic acid (Z,Z)- (CAS) Linoleic acid $$ Linoleic $$ Unifac 6550 $$ Linolic acid $$ Telfairic acid $$ Grape seed oil $$ Polylin No. 515 $$ cis,cis-Linoleic acid $$
100 55 67
28 81
80 41
60 95
HO 2 C (CH 2 ) 7 CH CH CH 2 CH CH (CH 2 ) 4 Me
40
109
20 123
137 280
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9-Octadecenal, (Z)- (CAS) CIS-OCTADEC-9-ENAL $$ Olealdehyde $$ Oleylaldehyde $$ Z-9-Octadecenal $$ cis-9-Octadecenal $$
100 55
41
80
69
60 57 83
Me (CH 2 )7 CH CH(CH 2 )7 CHO
98
40
20 109
135
123 149 248
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:13-Oxabicyclo[10.1.0]tridecane (CAS) Epoxycyclododecane $$ Cyclododecene epoxide $$ Cyclododecane, 1,2-epoxy- $$
100 41 55
80 67
60 O
82
40 29
43
95 111
20 53 84 121
31 65 77 107 135
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9-OCTADECENOIC ACID (Z)- $$ OCTADEC-9-ENOIC ACID $$ (9E)-9-OCTADECENOIC ACID # $$ (9E)-9-OCTADECENOIC ACID (COMPUTER-GENERATED NAME
100 41 55
80
43
60 69 HO
O
40 83
54
73
20 95
65 85 105 115 123 137
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9-Octadecen-1-ol, (Z)- (CAS) cis-9-Octadecen-1-ol $$ Oleol $$ Satol $$ Ocenol $$ Sipol O $$ Adol 85 $$ Atalco O $$ Adol 320 $$ Loxanol M $$ Dermaffine $$ Loxanol 95 $$ C
100 55
80 41 82
67
60
95 Me (CH 2 ) 7 CH CH (CH 2 ) 8 OH
40
109
20 123 138 250
152 166 180 194 208 222
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 55
41
80 69
60 81
40 97
20 110
123 137 151 165 180 193 207 221 264 280
235 253
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:(R)-(-)-(Z)-14-Methyl-8-hexadecen-1-ol $$
100 55
70
80 67
82
60 41
95
40
109
20 123
137 151 225 236
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1,10-Decanediol (CAS) Decane-1,10-diol $$ N-DECANE-1,10-DIOL $$ Decamethylenediol $$ Decamethylene glycol $$ 1,10-Decamethylenediol $$ 1,6-Bis(2-hydroxyethyl)hexa
100 55
80
68
41
60 31 82
83
HO (CH 2 ) 10 OH
40
95
71
20 109
39
59 94 113 123 139
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:DI-(9-OCTADECENOYL)-GLYCEROL $$ 9-OCTADECENOIC ACID (Z)-, 2-HYDROXY-1,3-PROPANEDIYL ESTER $$
100 55
80 41
69
60 83
40 97
27 129 264
20 112
151
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:9-Hexadecenoic acid (CAS)
100 55
41
80 69
60
83 Me (CH 2 ) 5 CH CH (CH 2 ) 7 CO 2 H
40 29 97
54
20 109 123 138 152 236
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:(Z)6-Pentadecen-1-ol $$
100 55 67 82
80 41
60 95
40
109
20 79 123
53 138 208
99 152 180
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 55
41
80 69
60 81
40 97
20 110
123 137 151 165 180 193 207 221 264 280
235 253
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:N-UNDECANE-1,11-DIOL $$ 1,11-Undecanediol (CAS)
100 55
82
80 41
68
60
31 54 95
HO (CH 2 ) 11 OH
40 43
29
20 85
97 109
124
66 73 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:VALERIANSAEURE, 10-UNDECENYLESTER $$
100 55
41
80
60 69
83
40 43 95
27 57
20 71 109
84 98 123 152
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:10-UNDECENYL PENTANOATE $$ VALERIANSAEURE, 10-UNDECENYLESTER
100 55
41
80
60 69 O
83 O
40 43 95
27 57
20 71 109
84 98 123 152
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
SI:88 Formula:C18 H31 CL O CAS:7459-33-8 MolWeight:298 RetIndex:0
CompName:9,12-Octadecadienoyl chloride, (Z,Z)- $$ Linoleoyl chloride $$ Lineoleoyl chloride $$ Linoleic acid chloride $$
100 55
67
80 41
60 81
Me (CH 2 ) 4 CH CH CH 2CH CH(CH 2 ) 7COCl
40 79 95
29
20 93
65 107 121 135 151
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:HEPTADECENE-(8)-CARBONIC ACID-(1)
100 18 55
80 41 69
60 83
97
40
98
264
20 112 138 151 282
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 55
41
80 69
60 81
40 97
20 110
123 137 151 165 180 193 207 221 264 280
235 253
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:HEPTADECENE-(8)-CARBONIC ACID-(1) $$
100 18 55
80 41 69
60 83
97
40
98
264
20 112 138 151 282
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:10-Undecenal (CAS) Undecylenic aldehyde $$ 10-Undecylenealdehyde $$ Undecylene aldehyde $$ 10-Undecen-1-al $$ n-Undecylenic aldehyde $$ 10-Undecenyl aldehyde $$ Ald
100 41 55
80
60 67
H 2 C CH(CH 2 ) 8 CHO
40 29
43 81
20 53 93 98
84 121
65 77 107 135
31
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1,12-Dodecanediol (CAS)
100 55
80 41
82
60 68
31
HO (CH 2 ) 12 OH
40 43 96
57
20 27
71
109
85 99 123 138 154
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:1,9-Tetradecadiene (CAS)
100 55
80 41
60 67 81
40 95
29 39
20 109
66 85 123 137 194
112 151 166
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
CompName:OCTADEC-9-ENOIC ACID $$ 9-OCTADECENOIC ACID $$ HEPTADECEN-(8)-CARBONSAEURE-(1)
100 55
80 41 69 O
OH
60 83
28 97
40
98
264
20 112 138 151 222 282
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
<< Target >>
100 43 57 73
80
60
40 83
20 129
111 185 241
207 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Octadecanoic acid (CAS) Stearic acid $$ n-Octadecanoic acid $$ PD 185 $$ NAA 173 $$ Vanicol $$ Kam 3000 $$ Kam 1000 $$ Kam 2000 $$ Neo-Fat 18 $$ Steric acid $$ Hystr
100 28 43 73
60
80
60 41
HO 2 C (CH 2 ) 16 Me
40 129
85
20 98
115 185 241 284
143 171 199
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:9-Octadecenoic acid (Z)- (CAS) Oleic acid $$ Red oil $$ Oelsauere $$ Oleine 7503 $$ Pamolyn 100 $$ Emersol 211 $$ Vopcolene 27 $$ cis-Oleic acid $$ Wecoline OO $$ Z-9-Oc
100 73
41 55
80
60 69
Me (CH 2 ) 7 CH CH (CH 2 ) 7 CO 2 H
40 83
129
97
20 96 111 185
143 157 171 199
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Docosanoic acid (CAS) Behenic acid $$ Glycon B-70 $$ Hydrofol 2022-55 $$ Hydrofol Acid 560 $$ n-Docosanoic acid $$ 1-Docosanoic acid $$
100 43
57
73
80
60
41 HO 2 C (CH 2) 20 Me
40 29
85 129
20 98
115 340
171 185 241 297
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:STEARIC ACID $$ STEARINSAEURE
100 43 57 73
80 41
60 HO
O
40 29
284
85
98 129
20 115 185 241
143 171 255
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Nonadecanoic acid (CAS) n-Nonadecanoic acid $$
100 43
80 57 73
41
60
HO 2 C (CH 2) 17 Me
40 129
85 284
20 27 98
115 185
298
143 171 199 241 255
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 43 57 73
80
60
40 83
20 129
111 185 241
207 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
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
80 57
60
HO 2 C (CH 2) 14 Me
40
85 129
20 97
115 213
157 171 185 256
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Eicosanoic acid (CAS) Arachidic acid $$ Arachic acid $$ Icosanoic acid $$ Arachidic acid,synthetic $$ n-Eicosanoic acid $$ ARACHINSAEURE $$ N-HEPTYL-2-{2-[(HEPTYL
100 43
57
80 41 73
60
HO 2 C (CH 2) 18 Me
40
85 129
20 27
98
115 171 185 269 312
143 157 199 213 227 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:HENEICOSANOIC ACID $$ HENICOSANOIC ACID $$ HENICOSANOIC ACID # $$ EINECS 219-113-3 $$ HENICOSANOIC ACID (COMPUTER-GENERATED NAME)
100 43
80 57 73
41
60 HO
O
40 326
85 129
98
20 27 115 283
171 185 227 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Octadecanoic acid, 2-hydroxy-1,3-propanediyl ester (CAS) GLYCEROL-1,3-DI OCTADECANOATE $$ 1,3-Distearin $$ Stearin, 1,3-di- $$ 1,3-Distearoylglycerol $$ 1,3-Distearo
100 43 57
80
41 73
60 98
129
40 84
116 284
267
20 27 185 241
171
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Pentadecanoic acid (CAS) Pentadecylic acid $$ n-Pentadecanoic acid $$ n-Pentadecylic acid $$ Pentadecyclic acid $$ PENTADECANSAEURE $$ 14FA $$
100 43 60 73
80 55
60
29
HO 2 C (CH 2) 13 Me
40
83 129 242
20 97
115 199
143 157 185
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 43 57 73
80
60
40 83
20 129
111 185 241
207 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Decanoic acid (CAS) Capric acid $$ Decoic acid $$ Decylic acid $$ Caprynic acid $$ Caprinic acid $$ n-Decoic acid $$ n-Capric acid $$ n-Decylic acid $$ n-Decanoic acid $$ 1-N
100 43 60 73
55
80
129
60
69
87
HO 2 C (CH 2 ) 8 Me
40 39 115
20 143
46 81 88 97 110 130
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester (CAS) GLYCEROL 1,3-DIHEXADECANOATE $$ 1,3-Dipalmitin $$ Palmitin, 1,3-di- $$ 1,3-Dipalmitoylglycerol $$ 1,3-Dip
100 43
80 57
41
73
60
98
40 129
27 84 116 239
20 213
256
157 171 185 313 367
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Tetradecanoic acid (CAS) Myristic acid $$ MYRISTINIC ACID $$ n-Tetradecanoic acid $$ neo-Fat 14 $$ Univol U 316S $$ n-Tetradecoic acid $$ 1-Tridecanecarboxylic acid $$
100 60 73
43
80
60
HO 2 C (CH 2) 12 Me
40 29 129
83 185 228
20 45 97 115 143 171
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Heptadecanoic acid (CAS) Margaric acid $$ HEXADECANECARBONIC ACID-(1) $$ Margarinic acid $$ n-Heptadecoic acid $$ n-Heptadecylic acid $$ n-Heptadecanoic acid $$
100 43
73
80 60
60
29 HO 2 C (CH 2) 15 Me
40 270
129
20 83 97 227
111 171 185
143 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:PALMITIC ACID $$ PALMITINSAEURE
100 43 73
80 57
87
60 HO
O
40 29
129
20 97 115 143 213
157 171 185 227 256
199 239
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
<< Target >>
100 43 57 73
80
60
40 83
20 129
111 185 241
207 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:TRIDECANOIC ACID $$ AI3-04166 $$ BRN 0508317 $$ EINECS 211-341-1 $$ N-TRIDECANOIC ACID $$ N-TRIDECOIC ACID $$ NSC 25955 $$ NSC 69131 $$ TRIDE
100 60 73
43
80 41
60 HO
29 O
40 69 129
85
20 115 171
97 214
111 143 157 185
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Hexadecanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester (CAS) 1,2-Dipalmitin $$ GLYCEROL-1,2-DIHEXADECANOATE $$ Dipalmitin $$ Palmitin, 1,2-di- $$ 1,2-Dipalmito
100 43 57
80
98
73
60 CH 2 OH
Me (CH 2 ) 14 C(O) O CH 2 CHOC(O) (CH 2 ) 14 Me
40 29 84
129 239
112 256
20 213
185
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Eicosanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester (CAS) 2-MONOARACHIDIN $$
100 43
57
80
41 98
60 CH 2 OH
73
40 84 Me (CH 2 ) 18 C(O) OCH CH 2 OH
134 312
112 295
20 27
269
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Octadecanoic acid, 2,3-dihydroxypropyl ester (CAS) 1-Monostearin $$ GLYCEROL 1-OCTADECANOATE $$ Tegin $$ Aldo 33 $$ Aldo 75 $$ Aldo MSD $$ Tegin 55G $$ Aldo
100 43 57
80 73
41 98
60 284 OH
84 129
267 Me (CH 2 ) 16 C(O) O CH 2 CHCH 2 OH
40
112
185 241
20 27
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
CompName:Heptadecenoic acid (CAS) Heptadecamonoenoic acid $$
100 73
43 60
80
270
60
40 129
29 83
97 227
20 111 171 185
143 241
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Peak Report
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Chromatogram A 22.11.2019 D:\GCMS\A 22.11.2019.qgd

10.0 20.0 24.0

Peak Report TIC

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0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

0 10 20 30 40 50 60 70 80 90 100 110 120 130

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

10 30 50 70 90 110 130 150 170 190 210 230 250 270

57 67 77 91 100 119 129 143

20 99 113 127 141 155 169 183 282

60 43 Me (CH 2 ) 16 C(O) OMe

20 27 123 194 236

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