MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008204
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008204
RECORD_TITLE: (Z)-3-HEXENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-3-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC([H])=C([H])CCO
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
CH$LINK: INCHIKEY
UFLHIIWVXFIJGU-ARJAWSKDSA-N
CH$LINK: COMPTOX
DTXSID6022137
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9000000000-3930494d4cdcbeff30de
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
39 8.58 86
41 99.99 999
42 26.63 266
43 2.96 30
44 8.58 86
45 3.25 33
53 5.92 59
54 13.61 136
55 39.05 391
56 7.99 80
57 15.09 151
67 80.47 805
68 5.92 59
69 25.44 254
70 8.88 89
72 2.96 30
82 42.01 420
100 2.96 30
//
system version 2.2.6-SNAPSHOT