MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006847
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006847
RECORD_TITLE: TRANS-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$NAME: TRANS-3-HEXENOL
CH$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$LINK: INCHIKEY
UFLHIIWVXFIJGU-ONEGZZNKSA-N
CH$LINK: COMPTOX
DTXSID1022138
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$SPLASH: splash10-00kf-9000000000-5205dfcd839a24c16b1e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 2.27 23
26 2.36 24
27 22.24 222
29 13.31 133
30 1.19 12
31 26.3 263
38 2.7 27
39 29.88 299
40 3.88 39
41 99.99 999
42 21.27 213
43 8.98 90
44 6.71 67
45 2.11 21
50 2.2 22
51 3.37 34
52 1.32 13
53 9.29 93
54 8.41 84
55 34.95 350
56 4.67 47
57 10.83 108
65 1.97 20
66 1.17 12
67 50.38 504
68 5.11 51
69 38.26 383
70 11.03 110
71 1.78 18
72 2.66 27
79 1.09 11
81 3.32 33
82 33.56 336
83 3.08 31
100 2.06 21
//