MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008535
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008535
RECORD_TITLE: TRANS-2-DECENYL ACETATE; 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$NAME: TRANS-2-DECENYL ACETATE
CH$NAME: ACETIC ACID TRANS-2-DECENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCC=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-8,11H2,1-2H3/b10-9+
CH$LINK: INCHIKEY
LUMRROIRFJRWNX-MDZDMXLPSA-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$SPLASH: splash10-0006-9000000000-2bf61755f9bb11b3e414
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 2.28 23
27 9.25 93
29 11.2 112
39 8.59 86
40 1.24 12
41 23.99 240
42 4.93 49
43 99.99 999
44 2.4 24
53 5.61 56
54 26.33 263
55 22.34 223
56 5.45 55
57 9.68 97
58 1.86 19
61 1.51 15
66 1.72 17
67 16.67 167
68 13.49 135
69 8.19 82
70 2.66 27
71 6.13 61
72 2.3 23
73 1.19 12
79 1.5 15
81 13.24 132
82 13.14 131
83 6.89 69
84 1.56 16
85 1.46 15
86 1.44 14
95 9.08 91
96 13.29 133
97 2.58 26
99 2.22 22
100 4.01 40
109 5.02 50
110 9.76 98
113 2.09 21
114 3.65 37
127 1.36 14
138 5 50
155 1.18 12
156 5.14 51
//