MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008206
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008206
RECORD_TITLE: HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HEXANOL
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-9000000000-f121c161f3815adad6e6
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
41 31.94 319
42 42.39 424
43 62.69 627
44 9.85 99
54 2.69 27
55 43.28 433
56 99.99 999
57 29.85 299
69 2.69 27
71 2.69 27
82 3.88 39
84 8.96 90
//