MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006846
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006846
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC=CCCO
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00l6-9000000000-54ee041e574aedb72ec1
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 2.09 21
26 2.3 23
27 24.08 241
28 2.83 28
29 18.74 187
30 1.13 11
31 28.21 282
38 2.48 25
39 31.9 319
40 4.37 44
41 99.99 999
42 22.6 226
43 8.61 86
44 6.79 68
45 2.07 21
50 2.34 23
51 3.7 37
52 1.36 14
53 11.54 115
54 11.47 115
55 38.58 386
56 5.22 52
57 13.23 132
58 1.03 10
63 1 10
65 2.18 22
66 1.27 13
67 72.58 726
68 5.62 56
69 23.22 232
70 10.5 105
71 1.53 15
72 2.28 23
81 4.62 46
82 37.69 377
83 2.29 23
100 1.97 20
//