Thanh 12 Atm
Thanh 12 Atm
Thanh 12 Atm
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
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
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
100
43
80
60
55
40
57
20
69
71
83
112
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
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 #
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 #
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
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
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
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
Tridecane
n-Tridecane
57
100
43
80
60
40
41
71
85
29
20
99
100
m/z
150
0
50
Undecane
n-Undecane
57
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
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
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
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
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
100
80
43
60
55
91
93
40
94 105
121 135
149
20
0
100
219
262
200
m/z
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
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
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
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
O
O
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
100
45
80
57
43
60
71
40
85
20
99 97 113
0
50
100
m/z
183 182
150
200
100
O
O
43
80
60
40
20
71
85
99 113
127
183
0
100
200
m/z
229
100
43
57
80
60
69
40
83
85
20
97
111
0
125
100
m/z
2-Piperidinone, N-[4-bromo-n-butyl]1-(4-Bromobutyl)-2-piperidinone #
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
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
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
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
100
55
80
60
69 57 81
40
95
99
109
123 135
20
0
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
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
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
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
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
100
m/z
198
150
Tridecane
57
100
Relative Abund ance
n-Tridecane
43
80
60
40
41
71
85
29
20
99
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
100
m/z
226
200
Hexadecane
n-Cetane
57
100
43
80
60
71
41
85
40
20
29
99
100
m/z
226
200
Dodecane
n-Dodecane
57
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
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
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
100
43
80
60
55
57
69 71
40
20
97
111 112 154
0
50
100
207 235
150
m/z
200
100
HO
57
43
80
69
60
71
83
40
111
20
125
139
0
100
200
m/z
100
43
57
80
60
40
20
69
83
85
97
111
0
125
100
m/z
1-Eicosanol
n-Eicosanol
100
HO
80
43
57
60
69 83
40
97
20
111
125 154
100
252 280
200
m/z
1-Nonadecanol
Nonadecyl alcohol
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
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
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
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
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
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
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
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
Relative Abundance
100
80
60
40
20
57.14
88.19
0
50
100
209.97
200
m/z
240.27
250
282.11
328.08
300
350
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
100
41
O
O
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
0
100
M ethyl 5-(2-undecylcyclopropyl)pentanoate #
334 335
100
200
m/z
362 394
300
41
O
O
43
80
60
40
20
55
74
87
95
111
100
200
m/z
300
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
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
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
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
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
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)-
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
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