MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009193
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009193
RECORD_TITLE: TRANS-2-OCTENOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-2-OCTENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCCC=CC(O)=O
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
CH$LINK: INCHIKEY
CWMPPVPFLSZGCY-VOTSOKGWSA-N
CH$LINK: COMPTOX
DTXSID50904721
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0096-9000000000-801c8e0537a0c78cb64f
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
15 2.99 30
16 1.53 15
18 1.59 16
26 4.11 41
27 50.11 501
28 6.01 60
29 78.67 787
30 2.13 21
31 3.26 33
38 3.5 35
39 56.87 569
40 9.1 91
41 99.99 999
42 41.8 418
43 30.4 304
44 2.64 26
45 15.12 151
46 1.06 11
50 2.38 24
51 5.38 54
52 2.77 28
53 13.86 139
54 7.42 74
55 63.98 640
56 25.14 251
57 23.14 231
58 3.75 38
59 1.61 16
60 8.33 83
61 1.56 16
63 1.04 10
65 3.19 32
66 2.5 25
67 15.07 151
68 27.41 274
69 12.44 124
70 57.61 576
71 10.17 102
72 1.57 16
73 87.12 871
74 6.04 60
77 1.85 19
79 1.87 19
80 1.54 15
81 8.21 82
82 31.8 318
83 10.53 105
84 2.35 24
85 2.76 28
86 28.4 284
87 13.43 134
88 1.61 16
89 1.2 12
91 1.16 12
95 4.7 47
96 16.16 162
97 3.72 37
99 26.4 264
100 10.12 101
101 2.69 27
109 1.37 14
110 1.75 18
113 5.37 54
114 1.82 18
124 11.66 117
125 2.35 24
127 1.96 20
142 1.23 12
//