MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006501
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006501
RECORD_TITLE: TRANS-2-HEXENYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-2-HEXENYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCC=CCOC(=O)CCC
CH$IUPAC: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
CH$LINK: INCHIKEY
PCGACKLJNBBQGM-VOTSOKGWSA-N
CH$LINK: COMPTOX
DTXSID90886052
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$SPLASH: splash10-00dl-9000000000-6614b9e4dedf9d8304ca
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
26 1 10
27 21.36 214
28 3.48 35
29 10.41 104
39 15.36 154
40 1.74 17
41 38.65 387
42 6.13 61
43 60.5 605
44 2 20
53 4.68 47
54 10.03 100
55 27.8 278
56 3.4 34
57 6.79 68
67 23.98 240
68 1.32 13
71 99.99 999
72 3.8 38
81 2.59 26
82 14.82 148
83 10 100
89 2.18 22
99 2.79 28
100 2.72 27
170 1.33 13
//