Library

<< Target >>

Line#:1 R.Time:2.025(Scan#:28) MassPeaks:33
RawMode:Averaged 2.017-2.033(27-29) BasePeak:44.00(15088)
BG Mode:Calc. from Peak Group 1 - Event 1
100 44

33

69 81 91

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:15509 Library:NIST62.LIB
SI:81 Formula:C11H25N CAS:13205-56-6 MolWeight:171 RetIndex:0
CompName:1-Methyldecylamine $$ 2-Undecylamine $$ 2-Undecanamine $$ 2-Aminoundecane
100 44

NH2

41
56 70 97 112 156 170

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:22688 Library:NIST62.LIB
SI:80 Formula:C13H29N CAS:13205-57-7 MolWeight:199 RetIndex:0
CompName:1-Methyldodecylamine $$ 2-Aminotridecane
100 44

NH2

41
56 70 84 98 112 184 198

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:1344 Library:WILEY229.LIB
SI:80 Formula:C4 H11 N CAS:13952-84-6 MolWeight:73 RetIndex:0
CompName:2-Butanamine (CAS) sec-Butylamine $$ 2-AB $$ Tutane $$ Butafume $$ 2-Butylamine $$ 2-Aminobutane $$ 1-Methylpropylamine $$ 1-Methylpropanamine $$ Secondary butylamine $$ Propylamin
100 44

s-Bu NH 2
58
72

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:2932 Library:NIST12.LIB
SI:80 Formula:C8H19N CAS:53907-81-6 MolWeight:129 RetIndex:0
CompName:2-Heptanamine, 5-methyl-
100 44

NH2

56 70 97 114 128

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:15693 Library:WILEY229.LIB
SI:80 Formula:C8 H19 N CAS:53907-81-6 MolWeight:129 RetIndex:0
CompName:2-Heptanamine, 5-methyl- (CAS) 2-AMINO-5-METHYLHEPTANE $$
100 44

MeCH(NH 2 ) CH 2 CH 2 CHMe CH 2 Me

56 70 97 114 128

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:2 R.Time:2.333(Scan#:65) MassPeaks:182
RawMode:Averaged 2.325-2.342(64-66) BasePeak:42.10(288)
BG Mode:Calc. from Peak Group 1 - Event 1
100 42
57
41

110
73 139 178 389
95 167 246 275 330 349
151 187 196 223 237 293 303 313 377 397
252

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:684 Library:NIST12.LIB
SI:40 Formula:C4H8O2 CAS:6117-80-2 MolWeight:88 RetIndex:0
CompName:2-Butene-1,4-diol, (Z)-
100 42

57
HO OH
70

84

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:3219 Library:NIST62.LIB
SI:39 Formula:C5H12N2O CAS:35606-37-2 MolWeight:116 RetIndex:0
CompName:2-Butanamine, N-methyl-N-nitroso- $$ sec-Butylamine, N-Methyl-N-nitroso- $$ N-Methyl-N-nitroso-2-butylamine $$ Propylamine, N,1-dimethyl-N-nitroso-
100 42 57
O
N
41 N
116
71 87

99

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:10115 Library:WILEY229.LIB
SI:39 Formula:C5 H12 N2 O CAS:35606-37-2 MolWeight:116 RetIndex:0
CompName:2-Butanamine, N-methyl-N-nitroso- (CAS) N-NITROSOMETHYL-SEC-BUTYLAMINE $$ sec-Butylamine, N-methyl-N-nitroso- $$ N-Methyl-N-nitroso-2-butylamine $$ Propylamine, N,1-dimeth
100 42 57

41 MeN(NO)Bu-s
116
71 87

99

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:16615 Library:WILEY229.LIB
SI:39 Formula:C4 H9 N3 S CAS:1752-30-3 MolWeight:131 RetIndex:0
CompName:Hydrazinecarbothioamide, 2-(1-methylethylidene)- (CAS) Acetone thiosemicarbazone $$ Thiosemicarbazone acetone $$ Acetone, thiosemicarbazone $$
100 42

131
57

72 Me 2C N NHCSNH 2
33
89 116
99

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:3140 Library:WILEY229.LIB
SI:39 Formula:C4 H8 O2 CAS:6117-80-2 MolWeight:88 RetIndex:0
CompName:2-Butene-1,4-diol, (Z)- (CAS) cis-Butenediol $$ (Z)-2-Butene-1,4-diol $$ cis-2-Butene-1,4-diol $$ cis-1,4-Dihydroxy-2-butene $$
100 42

57
HO CH 2 CH CHCH 2 OH
70

84 99

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:3 R.Time:2.500(Scan#:85) MassPeaks:7
RawMode:Averaged 2.492-2.508(84-86) BasePeak:43.05(42176)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60
41

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:563 Library:WILEY229.LIB
SI:95 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Ethanoic acid monomer $$ Aci-Jel $$
100 43

60
HO 2 CMe

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:116 Library:NIST62.LIB
SI:95 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid $$ Ethanoic acid $$ Ethylic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Vinegar acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $$ Acido acetico
100 43

O
60

OH
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:565 Library:WILEY229.LIB
SI:94 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ Ethanoic acid monomer $$ Aci-Jel $$
100 43

60
HO 2 CMe

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:118 Library:NIST12.LIB
SI:94 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid
100 43

O
60

OH
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:116 Library:NIST12.LIB
SI:94 Formula:C2H4O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid
100 43

60
O

OH
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:4 R.Time:2.633(Scan#:101) MassPeaks:9
RawMode:Averaged 2.625-2.642(100-102) BasePeak:43.05(58774)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

41 74

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:1434 Library:WILEY229.LIB
SI:93 Formula:C3 H6 O2 CAS:116-09-6 MolWeight:74 RetIndex:0
CompName:2-Propanone, 1-hydroxy- (CAS) Acetol $$ Hydroxyacetone $$ Acetylcarbinol $$ Acetone alcohol $$ Methanol, acetyl- $$ 1-Hydroxy-2-propanone $$
100 43

HO CH 2 CO Me
74
56

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:318 Library:NIST12.LIB
SI:93 Formula:C3H6O2 CAS:116-09-6 MolWeight:74 RetIndex:0
CompName:2-Propanone, 1-hydroxy-
100 43

O
OH

74
56

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:319 Library:NIST62.LIB
SI:93 Formula:C3H6O2 CAS:116-09-6 MolWeight:74 RetIndex:0
CompName:2-Propanone, 1-hydroxy- $$ Acetol $$ CH3C(O)CH2OH $$ Hydroxyacetone $$ Acetone alcohol $$ Acetylcarbinol $$ Hydroxypropanone $$ Methanol, acetyl- $$ 1-Hydroxy-2-propanone
100 43

O
OH
74
58

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:164 Library:WILEY229.LIB
SI:93 Formula:C2 H4 O CAS:75-07-0 MolWeight:44 RetIndex:0
CompName:Acetaldehyde (CAS) Ethanal $$ Acetaldeyde $$ Ethyl aldehyde $$ Acetic aldehyde $$
100 43

OCH Me

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:244 Library:NIST62.LIB
SI:92 Formula:C4H9N CAS:2516-34-9 MolWeight:71 RetIndex:0
CompName:Cyclobutylamine $$ Aminocyclobutane $$ Cyclobutanamine-
100 43

NH2

41
56 72

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:5 R.Time:3.400(Scan#:193) MassPeaks:22
RawMode:Averaged 3.392-3.408(192-194) BasePeak:57.10(9613)
BG Mode:Calc. from Peak Group 1 - Event 1
100 57

42
39

88

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:450 Library:WILEY229.LIB
SI:87 Formula:C3 H6 O CAS:107-18-6 MolWeight:58 RetIndex:0
CompName:2-Propen-1-ol (CAS) Allyl alcohol $$ 2-Propenol $$ 1-Propen-3-ol $$ Vinylcarbinol $$ Allylic alcohol $$ 3-Hydroxypropene $$ Shell unkrauttod A $$ 2-Propenyl alcohol $$ 3-Hydroxy-1-propene $$
100 57

HO CH 2CH CH 2

55

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:448 Library:WILEY229.LIB
SI:87 Formula:C3 H6 O CAS:107-18-6 MolWeight:58 RetIndex:0
CompName:2-Propen-1-ol (CAS) Allyl alcohol $$ 2-Propenol $$ 1-Propen-3-ol $$ Vinylcarbinol $$ Allylic alcohol $$ 3-Hydroxypropene $$ Shell unkrauttod A $$ 2-Propenyl alcohol $$ 3-Hydroxy-1-propene $$
100 57

HO CH 2CH CH 2

43

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:446 Library:WILEY229.LIB
SI:87 Formula:C3 H6 O CAS:107-18-6 MolWeight:58 RetIndex:0
CompName:2-Propen-1-ol (CAS) Allyl alcohol $$ 2-Propenol $$ 1-Propen-3-ol $$ Vinylcarbinol $$ Allylic alcohol $$ 3-Hydroxypropene $$ Shell unkrauttod A $$ 2-Propenyl alcohol $$ 3-Hydroxy-1-propene $$
100 57

HO CH 2CH CH 2

55

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:452 Library:WILEY229.LIB
SI:87 Formula:C3 H6 O CAS:107-18-6 MolWeight:58 RetIndex:0
CompName:2-Propen-1-ol (CAS) Allyl alcohol $$ 2-Propenol $$ 1-Propen-3-ol $$ Vinylcarbinol $$ Allylic alcohol $$ 3-Hydroxypropene $$ Shell unkrauttod A $$ 2-Propenyl alcohol $$ 3-Hydroxy-1-propene $$
100 57

39
HO CH 2CH CH 2

43

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:94 Library:NIST12.LIB
SI:87 Formula:C3H6O CAS:107-18-6 MolWeight:58 RetIndex:0
CompName:2-Propen-1-ol
100 57

OH
55

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:6 R.Time:4.250(Scan#:295) MassPeaks:89
RawMode:Averaged 4.242-4.258(294-296) BasePeak:39.05(2709)
BG Mode:Calc. from Peak Group 1 - Event 1
100 39
71

56 94 111 124 142 162 173 184 209 231 245 258 272 294 309 326 340 360 385 397

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:1729 Library:NIST12.LIB
SI:79 Formula:C7H12O CAS:2883-45-6 MolWeight:112 RetIndex:0
CompName:1,6-Heptadien-4-ol
100 43 71

41
OH

69
94

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:27156 Library:WILEY229.LIB
SI:79 Formula:C5 H11 BR CAS:110-53-2 MolWeight:150 RetIndex:0
CompName:Pentane, 1-bromo- (CAS) 1-Bromopentane $$ n-Pentyl bromide $$ Amyl bromide $$ Pentyl bromide $$ n-Amyl bromide $$ 1-Pentyl bromide $$
100 43
71
41

Br (CH 2 )4 Me

56 93 107 119 134 150

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:199531 Library:WILEY229.LIB
SI:79 Formula:C21 H46 O4 SI2 CAS:1116-65-0 MolWeight:418 RetIndex:0
CompName:Lauric acid, 2,3-bis(trimethylsiloxy)propyl ester (CAS) 1-DODECANOYL, BIS TRIMETHYLSILYL GLYCEROL $$ TRIMETHYLSILYLETHER DERIVATIVE OF 1-MONOLAURIN $$
100 43

OSiMe 3
57 Me (CH 2 )10 C(O) OCH 2CHCH 2 OSiMe 3
71

86 315
103 133 147 183

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:4955 Library:NIST62.LIB
SI:79 Formula:C7H12O2 CAS:2051-78-7 MolWeight:128 RetIndex:0
CompName:Butanoic acid, 2-propenyl ester $$ Butyric acid, allyl ester $$ Allyl butyrate $$ Allyl N-butyrate $$ Allyl butanoate $$ Vinyl carbinyl butyrate $$ Allylester kyseliny maselne
100 43 71
41
O

57
89 100 113 128

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:27157 Library:WILEY229.LIB
SI:79 Formula:C5 H11 BR CAS:107-81-3 MolWeight:150 RetIndex:0
CompName:Pentane, 2-bromo- (CAS) 2-Bromopentane $$ 2-Pentyl bromide $$
100 43

41

71
PrCHBr(Me)
57
93 107 121

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
<< Target >>
Line#:7 R.Time:4.325(Scan#:304) MassPeaks:24
RawMode:Averaged 4.317-4.333(303-305) BasePeak:39.05(6729)
BG Mode:Calc. from Peak Group 1 - Event 1
100 39

96

42
67 142 184 259 310 360

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:1 Entry:4073 Library:WILEY229.LIB
SI:83 Formula:C5 H4 O2 CAS:98-01-1 MolWeight:96 RetIndex:0
CompName:2-Furancarboxaldehyde (CAS) Furfural $$ 2-Furaldehyde $$ Fural $$ Furole $$ Furale $$ Furfurole $$ 2-Furfural $$ Furaldehyde $$ Furancarbonal $$ 2-Formylfuran $$ .alpha.-Furole $$ Furfuralde
100 39 96

O
CH O

42 67
81 98

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:2 Entry:867 Library:NIST12.LIB
SI:81 Formula:C5H4O2 CAS:98-01-1 MolWeight:96 RetIndex:0
CompName:2-Furancarboxaldehyde
100 39 96

O
O
42 67
98

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:3 Entry:4072 Library:WILEY229.LIB
SI:81 Formula:C5 H4 O2 CAS:98-01-1 MolWeight:96 RetIndex:0
CompName:2-Furancarboxaldehyde (CAS) Furfural $$ 2-Furaldehyde $$ Fural $$ Furole $$ Furale $$ Furfurole $$ 2-Furfural $$ Furaldehyde $$ Furancarbonal $$ 2-Formylfuran $$ .alpha.-Furole $$ Furfuralde
100 39 96

O
CH O

42 67
98

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:4 Entry:4067 Library:WILEY229.LIB
SI:81 Formula:C4 H4 N2 O CAS:504-30-3 MolWeight:96 RetIndex:0
CompName:3(2H)-Pyridazinone (CAS) 3-PYRIDAZONE $$ 3-Pyridazinol $$ 6-Pyridazinone $$ 3-Pyridazinone $$ Pyridazin-3(2H)-one $$ 3-(2H)-Pyridazinone $$ 3-Hydroxypyridazine $$
100 39
H
N O
N
68
96
42

70 98

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390
Hit#:5 Entry:4097 Library:WILEY229.LIB
SI:81 Formula:C5 H4 O2 CAS:0-00-0 MolWeight:96 RetIndex:0
CompName:3-FURALDEHYDE $$
100 39 95

67
50
79 98

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