MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006502
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006502
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEXENYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCC=CCCOC(=O)CCC
CH$IUPAC: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
CH$LINK: INCHIKEY
ZCHOPXVYTWUHDS-WAYWQWQTSA-N
CH$LINK: COMPTOX
DTXSID6051772
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$SPLASH: splash10-00rx-9000000000-93e85c48cd98fe637f24
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 2.14 21
26 1.91 19
27 28.05 281
28 10.32 103
29 12.43 124
31 1.64 16
38 1.31 13
39 17.19 172
40 4.67 47
41 51.53 515
42 8.95 90
43 77.63 776
44 2.72 27
45 1.47 15
51 1.52 15
53 6.4 64
54 9.06 91
55 18.38 184
56 1.49 15
65 1.98 20
66 1.44 14
67 99.04 990
68 5.84 58
69 2.47 25
71 88.63 886
72 3.66 37
80 1.21 12
81 6.46 65
82 99.99 999
83 8.83 88
89 1.62 16
//