MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006845
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006845
RECORD_TITLE: TRANS-2-HEXENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-2-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCCC=CCO
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
CH$LINK: INCHIKEY
ZCHHRLHTBGRGOT-SNAWJCMRSA-N
CH$LINK: COMPTOX
DTXSID2047062
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$SPLASH: splash10-0a4l-9000000000-0339132bed8a2355e193
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.6 16
26 2.11 21
27 24.49 245
28 2.1 21
29 23.4 234
30 1.18 12
31 10.84 108
38 1.75 18
39 19.32 193
40 2.88 29
41 43.6 436
42 7.82 78
43 18.93 189
44 17.69 177
45 3.55 36
50 1.49 15
51 2.4 24
52 1.12 11
53 6.3 63
54 5.3 53
55 10.65 107
56 9.79 98
57 99.99 999
58 6.4 64
59 1.25 13
67 14.35 144
68 1.17 12
69 4.8 48
70 1.54 15
71 9.85 99
72 4.92 49
81 1.17 12
82 18.41 184
83 1.91 19
100 1.96 20
//
system version 2.2.8-SNAPSHOT