MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005210
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005210
RECORD_TITLE: 2-METHYL-1-HEXANOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYL-1-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCC(C)CO
CH$IUPAC: InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY
LCFKURIJYIJNRU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70977492
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0002-9200000000-08f31c70ebab01160d7c
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
83 1.39 14
84 2.06 21
85 4.71 47
97 8.61 86
98 11.81 118
99 99.99 999
100 11.69 117
114 2.19 22
115 16.69 167
116 1.63 16
117 1.28 13
//