MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006096
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006096
RECORD_TITLE: 2-HEXANOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCC(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY
QNVRIHYSUZMSGM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30893088
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-000i-9000000000-6a2465fd6b8f6d61c645
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
69 10.75 108
72 2.47 25
83 6.25 63
84 7.79 78
85 99.99 999
86 9.78 98
87 4.49 45
101 3.86 39
102 0.27 3
103 3.98 40
//