MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001293
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001293
RECORD_TITLE: HEXANOL; 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$NAME: HEXANOL
CH$NAME: HEXYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCCCO
CH$IUPAC: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021931
AC$INSTRUMENT: HITACHI RMU-7M
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-9000000000-35926852ac4ed3ed0959
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
27 13.65 137
28 10.63 106
29 20.47 205
31 21.65 217
39 6.82 68
41 39.63 396
42 41.21 412
43 61.29 613
44 3.02 30
55 47.9 479
56 99.99 999
57 7.74 77
69 25.59 256
70 2.36 24
84 4.2 42
//
system version 2.2.8-SNAPSHOT