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Thanh 12 Atm

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Data File:

Original Data Path:


Current Data Path:
Sample Type:
Sample ID:
Sample Name:
Operator:
Acquisition Date:
Run Time (min):
Comments:
Vial:
Injection Volume (l):
Scans:
Low Mass (m/z):
High Mass (m/z):
Sample Volume (l):
Sample Weight:
ISTD Amount:
Calibration Level:
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ThanhCoNi12at275
ThanhCoNi12at275.RAW
C:\GCMS sample\FT\NHLien\FT QN\\
Unknown
1
MAT-5000
05/27/14 19:06:32
20.03
30
1.00
2817
40.00
350.00
0.00
0.00
0.000
1.00
C:\GCMS sample\FT\MEK-Thanh--FT-AIAS-cut2minSOL.meth
None
None
1.4 SR1
N/A
Barcode Not Read

RT: 0.00 - 22.03 SM: 7G

NL:
0
TIC F: + c Full
ms [
40.00-400.00]
MS
ThanhCoNi12
at275

Relative Abundance

100
80
60
40
20
0
0

ID

RT
4.92
5.12
5.75
7.62
8.13
10.00
11.98

10
12
Time (min)

Peak Area
373842
1412027
12801
51731
81409
337906
89759

14

16

18

20

Peak Height
60765
236373
4202
7369
11733
46759
13382

22

Area %
8.72
32.93
0.30
1.21
1.90
7.88
2.09

13.86
16.64
17.74
20.34
21.69

391872
497666
813483
130936
93971

50841
70744
111786
11652
8232

9.14
11.61
18.97
3.05
2.19

RT: 4.28 - 5.51 SM: 15G

5.12

80
RT: 4.92

60

20
0
4.4

4.74

40
4.62

Relative Abundance

100

4.6

4.8
5.0
Time (min)

Compound Structure

5.2

5.4

Hit Spectrum

O
N

Relative Abund ance

100

43

80
60
55
40

57

20

69

71

83

112

129 158 223 253

100

NH

200
m/z

Octan-2-one, 3,6-dimethyl3,6-Dimethyl-2-octanone #

100
Relative Abund ance

HO

NL:
2.36E5
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

43

80
60
40
20

55
57

O
0
50

73 83

84 111
127 139 141
100
m/z

150

Oxetane, 2-methyl-4-propyl2-M ethyl-4-propyloxetane #

Relative Abund ance

100

41

80
43

55

60
56
40
20

70

57

45
53

71

81 85 99
97 100 113

0
40

60

80
m/z

100

2-Nitrohept-2-en-1-ol
(2Z)-2-Nitro-2-hepten-1-ol #

Relative Abund ance

41

100

O
N
OH

80

55
71

60
40

27

95

69
86

20

79

99 100
116 130

0
50

100
m/z

2-Piperidinone, N-[4-bromo-n-butyl]1-(4-Bromobutyl)-2-piperidinone #

Relative Abund ance

100

Br
N

43

80
60

55
57
69 71

40
20

97
111 112 154

0
50

Name
3Hexadecyloxycarb
onyl-5-(2hydroxyethyl)-4methylimidazoliu
m ion
Octan-2-one, 3,6dimethylOxetane, 2methyl-4-propyl2-Nitrohept-2-en1-ol
2-Piperidinone, N[4-bromo-n-butyl]-

100

150
m/z

207 235
200

Molecular Formula
C24H45N2O3

MolecularWeight
409

RSI
761

SI
732

C10H20O

156

726

703

C7H14O

114

780

701

C7H13NO3

159

733

700

C9H16BrNO

233

764

700

ThanhCoNi12at275 #417 RT: 4.92 AV: 1 NL: 1.70E4


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60
40

55.11

20

73.13

99.14

0
50

100

133.22

185.15
150

200
m/z

247.29
250

282.49

333.51
300

350

RT: 4.53 - 5.85 SM: 15G


RT: 5.12

100
80
60

4.6

5.75
4.8

Compound Structure

5.0

5.2
Time (min)

5.4

5.6

5.8

Hit Spectrum

Dodecane
57

100
Relative Abund ance

n-Dodecane

43

80
60

41

71

40

85

29
20

98 112 127

0
50

100
m/z

170

150

Decane, 4-methyl4-M ethyldecane

43

100
Relative Abund ance

71
57

80
60

41

40
29
20

85

0
50

112
98

113

100

156
150

m/z
Undecane, 2,6-dimethyl2,6-Dimethylundecane

57

100
Relative Abund ance

4.74

20

4.92

40
4.62

Relative Abundance

NL:
2.36E5
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

80
60
43

71

40
98

20

85

113

0
50

100
m/z

141 169 184


150

Tridecane
n-Tridecane

57

Relative Abund ance

100

43

80
60
40

41

71

85

29

20

99

112 127 141 184

100
m/z

150

0
50
Undecane
n-Undecane

57

Relative Abund ance

100
80

43

60

41

71

40
20

85
29
98 99 113

156

0
50

100

150

m/z

Name
Dodecane
Decane, 4-methylUndecane, 2,6dimethylTridecane
Undecane

Molecular Formula
C12H26
C11H24
C13H28

MolecularWeight
170
156
184

RSI
858
850
857

SI
837
834
831

C13H28
C11H24

184
156

833
830

822
817

ThanhCoNi12at275 #447 RT: 5.12 AV: 1 NL: 8.70E4


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
57.12
60
71.12

40
20

85.12

0
50

112.13
100

156.21
150

185.34
200
m/z

228.37

265.42
250

298.61
300

328.72
350

RT: 5.18 - 6.30 SM: 15G

NL:
7.51E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

80
60
40
20

6.18

RT: 5.75

Relative Abundance

100

0
5.2

5.4

5.6

Compound Structure

5.8
Time (min)

6.0

6.2

Hit Spectrum
100

41

Relative Abund ance

H
80

43

60

55

40

109

67

69

20
111

0
50

100
m/z

151
165 193 208
150

200

Z,Z,Z-1,4,6,9-Nonadecatetraene
Formula C19H32, M W 260, CAS# NA, Entry# 2163
100
Relative Abund ance

43
79

80
55

91
93

60
40
105
20

119 133

147 206

100

260

200
m/z

9-Octadecenoic acid (Z)-, phenylmethyl ester

O
O

91

100
Relative Abund ance

Benzyl oleate

80
43
60
40
20

55
69
97

108
125 147

207 221

0
100

200
m/z

282

Z,Z,Z-4,6,9-Nonadecatriene
Formula C19H34, M W 262, CAS# NA, Entry# 3147
79

Relative Abund ance

100
80

43

60
55

91
93

40
94 105
121 135
149

20
0

100

219

262

200
m/z

9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester


Benzyl (9Z,12Z)-9,12-octadecadienoate #

91

100
Relative Abund ance

O
O

80
60
40
20

67
41
95
109

123 207

0
100

Name
1b,5,5,6aTetramethyloctahydro-1-oxacyclopropa[a]inde
n-6-one
Z,Z,Z-1,4,6,9Nonadecatetraene
9-Octadecenoic
acid (Z)-,
phenylmethyl ester
Z,Z,Z-4,6,9Nonadecatriene
9,12Octadecadienoic
acid (Z,Z)-,
phenylmethyl ester

200
m/z

280 282 359


300

Molecular Formula
C13H20O2

MolecularWeight
208

RSI
749

SI
691

C19H32

260

696

686

C25H40O2

372

788

686

C19H34

262

688

678

C25H38O2

370

772

676

ThanhCoNi12at275 #538 RT: 5.75 AV: 1 NL: 2.84E3


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
91.15
60
40

55.19
69.16
106.24

20
125.13
0
50

100

154.20
150

196.03
200
m/z

225.22

269.08 295.02
250

300

330.28
350

RT: 7.03 - 8.29 SM: 15G

8.13
7.14

60

7.96

80

7.86

RT: 7.62

100

40
20

7.38

Relative Abundance

NL:
1.17E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

0
7.2

7.4

Compound Structure

7.6
Time (min)

7.8

8.0

8.2

Hit Spectrum

M ethoxyacetic acid, 4-tridecyl ester

O
O

Relative Abund ance

100

45 57
71

80
60

85

40
20

99

117 127

183

0
50

100

150

201 203

200

m/z
M ethoxyacetic acid, 3-tridecyl ester

O
O

Relative Abund ance

100

45

80

57
43

60
71

40

85
20
99 97 113
0
50

100
m/z

183 182

150

200

M ethoxyacetic acid, 2-tridecyl ester


57 45

100

O
O

Relative Abund ance

43
80
60
40
20

71

85

99 113
127

183

0
100

200
m/z

229

Octadecane, 1-(ethenyloxy)Ether, octadecyl vinyl

100

43

Relative Abund ance

57

80
60
69

40

83
85

20

97

111
0

125

100

224 253 281


200

m/z
2-Piperidinone, N-[4-bromo-n-butyl]1-(4-Bromobutyl)-2-piperidinone #

Relative Abund ance

100

Br
N

43

80
60

55
57
69 71

40
20

97
111 112 154

0
50

Name
Methoxyacetic
acid, 4-tridecyl
ester
Methoxyacetic
acid, 3-tridecyl
ester
Methoxyacetic
acid, 2-tridecyl
ester
Octadecane, 1(ethenyloxy)2-Piperidinone, N[4-bromo-n-butyl]-

100

150
m/z

207 235
200

Molecular Formula
C16H32O3

MolecularWeight
272

RSI
777

SI
743

C16H32O3

272

808

741

C16H32O3

272

791

738

C20H40O

296

743

734

C9H16BrNO

233

806

733

ThanhCoNi12at275 #805 RT: 7.62 AV: 1 NL: 1.27E3


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60

57.16
71.19

40
85.19
20

97.21

125.18

203.30

0
50

100

150

200
m/z

249.16 276.52
250

314.90
300

350

RT: 7.55 - 8.86 SM: 15G


RT: 8.13
7.86

7.62

80
60

7.96

100

8.56

40
20

8.76

8.43

Relative Abundance

NL:
1.17E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

0
7.6

7.8

8.0

Compound Structure

8.2
Time (min)

8.4

Relative Abund ance

O
O

8.8

Hit Spectrum
100

8.6

43

80
60
40
20

55
67 81

83
159
155
171

100

227 263
200

m/z
12-M ethyl-E,E-2,13-octadecadien-1-ol

OH

Relative Abund ance

100

55

80
60

69 57 81

40

95
99

109
123 135

20
0

165 220 239 248

100

200
m/z

2-Hexadecanol

HO

100
Relative Abund ance

Hexadecanol-2

45

80
60
40
20
0

57
69 71 83
97
111
125 139
50

100

150
m/z

207 224 227


200

Relative Abund ance

100

O
O

O
O

43

80
60
40
55
20

57 81 83
97

159

171

0
50

100

150

227

200

m/z
1,2-15,16-Diepoxyhexadecane

Relative Abund ance

100

O
O

80
60

55
41

71
81
95

40
96
20
0

109
111 121
151

100

211

254

200
m/z

Name
9,12,15Octadecatrienoic
acid, 2(acetyloxy)-1[(acetyloxy)methyl
]ethyl ester,
(Z,Z,Z)12-Methyl-E,E2,13-octadecadien1-ol
2-Hexadecanol
9,12,15Octadecatrienoic
acid, 2,3bis(acetyloxy)prop
yl ester, (Z,Z,Z)1,2-15,16Diepoxyhexadecan
e

Molecular Formula
C25H40O6

MolecularWeight
436

RSI
786

SI
731

C19H36O

280

740

714

C16H34O
C25H40O6

242
436

714
758

701
700

C16H30O2

254

723

700

ThanhCoNi12at275 #876 RT: 8.13 AV: 1 NL: 1.31E3


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60

55.16
69.12

40

81.20
95.24

20

151.09
0
50

100

150

185.18
200
m/z

219.33

281.23
250

333.29
300

350

RT: 9.42 - 10.82 SM: 15G


RT: 10.00

100
80

10.53

10.40

20

9.82

9.71

40

10.66

60
9.60

Relative Abundance

NL:
5.17E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

0
9.6

Compound Structure

9.8

10.0
10.2
Time (min)

10.4

10.6

10.8

Hit Spectrum

Tetradecane
57

100
Relative Abund ance

n-Tetradecane

80

43
71

60

85

40
20

99

0
50

113 127 141

100
m/z

198

150

Tridecane
57

100
Relative Abund ance

n-Tridecane

43

80
60
40

41

71

85

29

20

99

112 127 141 184

100
m/z

150

0
50
Hexadecane
57

100
Relative Abund ance

n-Cetane

43

80
60

71
41
85

40
20
0

29

99

113 127 155

100
m/z

226
200

Hexadecane
n-Cetane

57

Relative Abund ance

100

43

80
60

71
41
85

40
20

29

99

113 127 155

100
m/z

226
200

Dodecane
n-Dodecane

57

Relative Abund ance

100
43

80
60

41

71

40

85

29
20

98 112 127

0
50

Name
Tetradecane
Tridecane
Hexadecane
Hexadecane
Dodecane

Molecular Formula
C14H30
C13H28
C16H34
C16H34
C12H26

MolecularWeight
198
184
226
226
170

100
m/z

170

150

RSI
883
859
853
853
867

SI
862
843
841
841
837

ThanhCoNi12at275 #1142 RT: 10.00 AV: 1 NL: 1.25E4


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80

57.19

60

71.12

40
85.19
20
99.10
0
50

100

126.14

157.31
150

207.14
200
m/z

246.98

294.85

250

300

350

RT: 11.36 - 12.55 SM: 15G

12.15

40

12.48

11.72

RT: 11.98

60

11.56

11.39

Relative Abundance

100
80

NL:
1.77E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

20
0
11.4

11.6

11.8

Compound Structure

12.0
Time (min)

12.2

12.4

Hit Spectrum

2-Piperidinone, N-[4-bromo-n-butyl]1-(4-Bromobutyl)-2-piperidinone #

Br
N

Relative Abund ance

100

43

80
60

55
57
69 71

40
20

97
111 112 154

0
50

100

207 235

150
m/z

200

1-Hexadecanol, 2-methyl2-M ethylhexadecan-1-ol

Relative Abund ance

100

HO

57
43

80
69

60

71

83

40
111

20

125

139

210 238 256

0
100

200
m/z

Octadecane, 1-(ethenyloxy)Ether, octadecyl vinyl

100

43

Relative Abund ance

57
80
60
40
20

69

83
85

97

111
0

125

100

224 253 281


200

m/z

1-Eicosanol
n-Eicosanol

Relative Abund ance

100

HO

80

43
57

60
69 83

40

97
20

111

125 154

100

252 280

200
m/z

1-Nonadecanol
Nonadecyl alcohol

Relative Abund ance

100

OH

80

43
57

60
69
40

83
97

20

111

112 154

100

238 266

200
m/z

Name
2-Piperidinone, N[4-bromo-n-butyl]1-Hexadecanol, 2methylOctadecane, 1(ethenyloxy)1-Eicosanol
1-Nonadecanol

Molecular Formula
C9H16BrNO

MolecularWeight
233

RSI
824

SI
742

C17H36O

256

734

731

C20H40O

296

736

725

C20H42O
C19H40O

298
284

739
736

714
713

ThanhCoNi12at275 #1414 RT: 11.98 AV: 1 NL: 4.27E3


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60
40

57.12
71.19
85.15

20
0
50

111.25 138.21
100

150

168.22

219.33
200
m/z

248.98
250

281.23

327.25
300

350

RT: 13.27 - 14.66 SM: 15G


RT: 13.86

100
80
60

13.4

13.6

13.8

Compound Structure

14.0
Time (min)

14.2

14.55

14.34

13.68

20

13.54

40
13.37

Relative Abundance

NL:
5.27E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

14.4

14.6

Hit Spectrum

Acetic acid
Ethanoic acid

43

100

45

Relative Abund ance

O
80

60

60
40
42

20
15
0

29
16 28
20

OH

41

46 47

40
m/z

61
60

Acetic acid
Ethanoic acid

43

100
Relative Abund ance

45

80
60

60
40
15
20
16

29
28 31

42
41

46 47

0
20

OH

40
m/z

61
60

Acetic acid
Ethanoic acid

43

100
Relative Abund ance

OH
80

60
60
40

15
42

20
16 28

29
31

41

0
O

45

20

40
m/z

46 47

61
60

Acetic acid
Ethanoic acid

43

100
Relative Abund ance

45

80
60
60
40

15
42

20

29
31

16 28

41

46 47

0
20

OH

40
m/z

61
60

Acetic acid
Ethanoic acid

43

100
O
Relative Abund ance

45
80
60

60
15

40
20

16 28

29
31

42
41

0
20

OH

Name
Acetic acid
Acetic acid
Acetic acid
Acetic acid
Acetic acid

Molecular Formula
C2H4O2
C2H4O2
C2H4O2
C2H4O2
C2H4O2

MolecularWeight
60
60
60
60
60

46

40
m/z

61
60

RSI
858
852
843
843
842

SI
849
841
835
835
832

ThanhCoNi12at275 #1682 RT: 13.86 AV: 1 NL: 2.97E4


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60
40
20

60.06
73.13

0
50

115.22
100

148.20
150

181.23 207.12
200
m/z

237.33
250

281.15
300

350

RT: 16.04 - 17.32 SM: 15G


RT: 16.64

100
80

20

17.17

40

16.99

16.31

60

16.10

Relative Abundance

NL:
7.48E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

0
16.2

16.4

Compound Structure

16.6
16.8
Time (min)

17.0

17.2

Hit Spectrum

2,3-Butanediol
Butane-2,3-diol

45

100
Relative Abund ance

OH
80
60
40
20

27
19

29

43
57

42

55

0
20

HO

40

60

72 75

90

80

m/z
2,3-Butanediol, [S-(R*,R*)](2S,3S)-(+)-2,3-Butanediol

45

100
Relative Abund ance

OH
80
60
40
20
0

43
27 29
47 57
31
20

OH

40

60

72 75

90

80

m/z

2,3-Butanediol
Butane-2,3-diol

45

100
Relative Abund ance

OH
80
60
40
20
0
HO

27 29 43
31 42
40

47

57
58 71 75 72 90
60
m/z

80

2,3-Butanediol
Butane-2,3-diol

45

100
Relative Abund ance

OH
80
60
40
20

19 27

43
31

20

HO

57

40

60

72 75 91 90
80

m/z
2,3-Butanediol, [R-(R*,R*)]2,3-Butanediol #

45

100
Relative Abund ance

OH
80
60
40
20

29 27

0
20

OH

Name
2,3-Butanediol
2,3-Butanediol, [S(R*,R*)]2,3-Butanediol
2,3-Butanediol
2,3-Butanediol,
[R-(R*,R*)]-

43
31

57

40

60

72 75 89 90
80

m/z

Molecular Formula
C4H10O2
C4H10O2

MolecularWeight
90
90

RSI
892
877

SI
872
864

C4H10O2
C4H10O2
C4H10O2

90
90
90

859
846
845

858
845
844

ThanhCoNi12at275 #2073 RT: 16.64 AV: 1 NL: 4.90E4


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60
40
20

57.07
75.14

0
50

105.13 131.09
100

169.57
150

207.14
200
m/z

241.13 269.36
250

342.44
300

350

RT: 17.10 - 18.39 SM: 15G


RT: 17.74

100
80

0
17.2

17.4

17.6

Compound Structure

17.8
Time (min)

18.0

18.36

18.28

20

18.02

40

17.35

60

17.17

Relative Abundance

NL:
1.17E5
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

18.2

Hit Spectrum

2,3-Butanediol, [S-(R*,R*)](2S,3S)-(+)-2,3-Butanediol

45

100
Relative Abund ance

OH
80
60
40
20
0

43
27 29
47 57
31
20

OH

40

60

72 75

90

80

m/z

2,3-Butanediol, [R-(R*,R*)]2,3-Butanediol #

45

100
Relative Abund ance

OH
80
60
40
20

29 27

43
31

20

OH

57

40

60

72 75 89 90
80

m/z

2,3-Butanediol
Butane-2,3-diol

45

100
Relative Abund ance

OH
80
60
40
20
0
HO

27 29 43
31 42
40

47

57
58 71 75 72 90
60
m/z

80

2,3-Butanediol
Butane-2,3-diol

45

100
Relative Abund ance

OH
80
60
40
20

27
19

29

43
57

42

55

0
20

HO

40

72 75

60

90

80

m/z
2-Butanol, 3-chloro-, (R*,R*)2-Butanol, 3-chloro-, threo-

45

100
Relative Abund ance

HO
80
60
40
20

27 29
15

39

93 95 106

50

Cl

Name
2,3-Butanediol, [S(R*,R*)]2,3-Butanediol,
[R-(R*,R*)]2,3-Butanediol
2,3-Butanediol
2-Butanol, 3chloro-, (R*,R*)-

55 57
63

100
m/z

Molecular Formula
C4H10O2

MolecularWeight
90

RSI
880

SI
859

C4H10O2

90

856

847

C4H10O2
C4H10O2
C4H9ClO

90
90
108

856
869
826

846
839
824

ThanhCoNi12at275 #2228 RT: 17.74 AV: 1 NL: 7.29E4


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60
40
20
57.14
88.19

0
50

100

124.34 152.19 179.34


150

209.97

200
m/z

240.27
250

282.11

328.08
300

350

RT: 19.62 - 21.06 SM: 15G


RT: 20.34

20.99

20.67

19.95

40

20.79

80
19.76

Relative Abundance

100

60

NL:
1.74E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

20
0
19.8

20.0

20.2

Compound Structure

20.4
Time (min)

20.6

20.8

21.0

Hit Spectrum

Cyclopropanedodecanoic acid, 2-octyl-, methyl ester


M ethyl 12-(2-octylcyclopropyl)dodecanoate #

100

41

O
O

Relative Abund ance

55
80
60
69

40

74

83

20

118

100

O
O

100
Relative Abund ance

M ethyl 14-(2-octylcyclopropyl)tetradecanoate #

200
m/z

300

73

80
60
40
20

129

74

147 149 241 259

0
100

M ethyl 5-(2-undecylcyclopropyl)pentanoate #

334 335

132 146 209 266

100

200
m/z

362 394

300

41

O
O

Relative Abund ance

43
80
60
40
20

55

74
87

95

111

194 236 278 298

100

200
m/z

300

Oxiraneundecanoic acid, 3-pentyl-, methyl ester, cisM ethyl 11-(3-pentyl-2-oxiranyl)undecanoate #

Relative Abund ance

100

O
O

55

80
60

74
87

40

97
98 127 183
129
199 227
264 281

20
0

100

200

300

m/z
l-Gala-l-ido-octose
100

43

Relative Abund ance

HO
OH
OH
HO

HO

OH

80

73

60
57
40

83 97

20

106 124

0
50

OH

Name
Cyclopropanedode
canoic acid, 2octyl-, methyl ester
Cyclopropanetetra
decanoic acid, 2octyl-, methyl ester
Cyclopropanepent
anoic acid, 2undecyl-, methyl
ester, transOxiraneundecanoi
c acid, 3-pentyl-,
methyl ester, cisl-Gala-l-ido-octose

44

100

145 175 193

150

200

m/z

Molecular Formula
C24H46O2

MolecularWeight
366

RSI
680

SI
678

C26H50O2

394

697

671

C20H38O2

310

678

669

C19H36O3

312

656

654

C8H16O8

240

730

652

ThanhCoNi12at275 #2585 RT: 20.34 AV: 1 NL: 3.18E3


F: + c Full ms [ 40.00-350.00]

Relative Abundance

100
80
60
40
20

74.14
57.12
85.21 109.25
149.26

0
50

100

150

207.22
200
m/z

267.02
250

301.34
300

336.26
350

RT: 21.10 - 22.03 SM: 15G

40

RT: 21.69
21.35

21.50

80
21.12

Relative Abundance

100

60

NL:
1.57E4
TIC F: + c Full
ms [
40.00-350.00]
MS
ThanhCoNi12
at275

20
0
21.2

21.3

Compound Structure

21.4

21.5
21.6
Time (min)

21.7

21.8

21.9

22.0

Hit Spectrum

2-Dodecen-1-yl(-)succinic anhydride
100
Relative Abund ance

2,5-Furandione, 3-dodecenyl-

41 55
69

80
60

83
97

40

109
123

20

137
149 151 181
209

100

266

200
m/z

1H-Indene, 2-butyl-5-hexyloctahydro95

100
Relative Abund ance

Bicyclo[4.3.0]nonane, 8-butyl-3-hexyl-

80

41

81

60

109

179

40
180
137
165
207

20
0
100

264
235

200
m/z

2-Dodecen-1-yl(-)succinic anhydride
100
Relative Abund ance

2,5-Furandione, 3-dodecenyl-

80
60

55
69
83
97

40

109
123

137

20

166 209
223 266

0
100

200
m/z

1H-Indene, 2-butyl-5-hexyloctahydroBicyclo[4.3.0]nonane, 8-butyl-3-hexyl-

Relative Abund ance

100
80

41
55

95
81

67
60

109 123

179

40
137

20

165

180
207

0
100

264
208

200
m/z

Oleic Acid
9-Octadecenoic acid (Z)-

Relative Abund ance

100

HO
O

80
60

55

41 69
83
97

40
98
20

111

125 129

264
222

0
100

282

200
m/z

Name
2-Dodecen-1yl(-)succinic
anhydride
1H-Indene, 2butyl-5hexyloctahydro2-Dodecen-1yl(-)succinic
anhydride
1H-Indene, 2butyl-5hexyloctahydroOleic Acid

Molecular Formula
C16H26O3

MolecularWeight
266

RSI
779

SI
714

C19H36

264

691

676

C16H26O3

266

695

673

C19H36

264

703

673

C18H34O2

282

680

671

ThanhCoNi12at275 #2770 RT: 21.69 AV: 1 NL: 1.13E3


F: + c Full ms [ 40.00-350.00]
100
Relative Abundance

57.13
97.24

80
60

123.25

69.14

40

137.18
180.26

20

151.29
193.27

0
50

100

150

200
m/z

249.15
250

293.16
300

327.17
350

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