MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009199
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009199
RECORD_TITLE: TRANS-3-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$NAME: TRANS-3-DECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCC=CCC(O)=O
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7+
CH$LINK: INCHIKEY
CPVUNKGURQKKKX-BQYQJAHWSA-N
AC$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: splash10-052f-9100000000-da4cb32c01c3c46f868c
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
14 1.22 12
15 2.03 20
26 2.48 25
27 31.99 320
28 3.1 31
29 47.14 471
30 1.32 13
31 2.68 27
39 28.01 280
40 5.6 56
41 86.18 862
42 30.67 307
43 99.99 999
44 3.86 39
45 17.59 176
50 1.68 17
51 2.74 27
52 1.78 18
53 14.18 142
54 34.83 348
55 89.53 895
56 38.67 387
57 22.7 227
58 7.92 79
59 4.15 42
60 12.56 126
61 1.97 20
65 2.92 29
66 3.28 33
67 23.97 240
68 24.24 242
69 44.8 448
70 19.86 199
71 16.3 163
73 12.37 124
74 1.46 15
77 2.41 24
79 4.36 44
80 1.58 16
81 21.56 216
82 14.08 141
83 13.82 138
84 29.12 291
85 5.35 54
86 2.58 26
87 10.51 105
88 1.27 13
94 1.91 19
95 9.95 100
96 13.9 139
97 9.42 94
98 5.16 52
99 5.8 58
100 16.27 163
101 9.78 98
108 6.77 68
109 5.37 54
110 27.35 274
111 8.72 87
112 1.04 10
113 3.74 37
114 7.79 78
115 2.41 24
123 9.42 94
124 3.64 36
127 3.33 33
134 2.85 29
152 12.71 127
153 1.87 19
170 2.63 26
//