MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005210

2-METHYL-1-HEXANOL; CI-B; MS

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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

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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

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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

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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
//