MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009196
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009196
RECORD_TITLE: TRANS-2-NONENOIC 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$NAME: TRANS-2-NONENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCCC=CC(O)=O
CH$IUPAC: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+
CH$LINK: INCHIKEY
ADLXTJMPCFOTOO-BQYQJAHWSA-N
AC$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: splash10-002f-9000000000-01a8f71e6d0af8fd1575
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
14 1.09 11
15 2.58 26
18 5.12 51
26 3.67 37
27 59.07 591
28 5.24 52
29 68.63 686
30 1.9 19
31 3.6 36
32 1.04 10
38 2.47 25
39 54.98 550
40 8.83 88
41 91.29 913
42 38.49 385
43 99.99 999
44 3.93 39
45 13.88 139
50 1.88 19
51 4.22 42
52 2.94 29
53 14.55 146
54 12.13 121
55 61.08 611
56 39.72 397
57 10.1 101
58 3.03 30
59 2.1 21
60 7.27 73
63 1.13 11
65 2.71 27
66 2.25 23
67 12.59 126
68 16.92 169
69 19.73 197
70 14.14 141
71 7.91 79
72 1.01 10
73 68.49 685
74 3.22 32
77 1.78 18
79 2.46 25
80 1.5 15
81 13.59 136
82 4.91 49
83 4.9 49
84 29.79 298
85 3.65 37
86 23.87 239
87 8.73 87
88 3.33 33
94 6.04 60
95 5.49 55
96 26.03 260
97 8.64 86
98 1.32 13
99 15.24 152
100 6.54 65
101 4.8 48
109 5.12 51
110 3.56 36
113 4.86 49
114 4.95 50
115 1.44 14
123 2.31 23
127 3.28 33
138 10.02 100
139 2.28 23
//