MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008533
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008533
RECORD_TITLE: TRANS-2-HEPTENYL 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$NAME: TRANS-2-HEPTENYL ACETATE
CH$NAME: ACETIC ACID TRANS-2-HEPTENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCC=CCOC(C)=O
CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
CH$LINK: INCHIKEY
AWCPMVVOGVEPRC-VOTSOKGWSA-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$SPLASH: splash10-0006-9000000000-0d9b135bf773498753dd
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 3.59 36
27 10.79 108
29 6.16 62
39 12.19 122
40 1.54 15
41 18.51 185
42 4.77 48
43 99.99 999
44 3.14 31
53 5.16 52
54 29.61 296
55 22.11 221
56 1.93 19
57 9.59 96
58 1.79 18
61 1.58 16
67 13.12 131
68 6.41 64
69 1.95 20
70 2.7 27
71 5.66 57
72 3.26 33
81 16.22 162
85 1.56 16
86 1.26 13
95 2.11 21
96 15.72 157
97 2.99 30
99 1.78 18
100 1.88 19
113 2.9 29
114 11.15 112
//