MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009198
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009198
RECORD_TITLE: TRANS-2-DECENOIC 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$NAME: TRANS-2-DECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCCC=CC(O)=O
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
CH$LINK: INCHIKEY
WXBXVVIUZANZAU-CMDGGOBGSA-N
CH$LINK: COMPTOX
DTXSID20904657
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$SPLASH: splash10-0006-9000000000-b161a74b3c916296d9a6
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
15 1.53 15
26 2.51 25
27 42.29 423
28 2.88 29
29 56.27 563
31 2.59 26
38 1.65 17
39 39.17 392
40 6.37 64
41 81.14 811
42 21.11 211
43 99.99 999
44 2.16 22
45 13.31 133
50 1.06 11
51 2.92 29
52 1.81 18
53 11.28 113
54 8.99 90
55 45.11 451
56 42.67 427
57 14.85 149
58 1.95 20
59 1.53 15
60 4.27 43
65 2.06 21
66 1.78 18
67 9.55 96
68 15.93 159
69 29.95 300
70 15.76 158
71 4.77 48
73 56.25 563
74 2.57 26
77 1.66 17
79 2.64 26
80 1.18 12
81 11.71 117
82 6.13 61
83 6.58 66
84 19.86 199
85 3.84 38
86 17.22 172
87 6.69 67
88 1.28 13
89 1.48 15
94 1.06 11
95 5.05 51
96 6.78 68
97 5.82 58
98 13.16 132
99 10.85 109
100 5.87 59
101 4.14 41
102 2.49 25
108 3.96 40
109 3.48 35
110 12.78 128
111 3.89 39
113 4.73 47
114 5.53 55
115 1.62 16
123 5.92 59
124 2.24 22
127 2.99 30
134 1.27 13
141 1.09 11
152 4.56 46
153 1.36 14
//