MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006108

2-OCTANOL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006108
RECORD_TITLE: 2-OCTANOL; 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

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CH$NAME: 2-OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCC(C)O
CH$IUPAC: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY SJWFXCIHNDVPSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027014

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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$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0229-9600000000-d24590ddce309619f58b
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  69 15.94 159
  70 7.45 75
  72 99.99 999
  82 1.52 15
  83 5.12 51
  84 7.46 75
  85 2.23 22
  97 7.14 71
  111 7.57 76
  112 8.97 90
  113 77.85 779
  114 6.33 63
  115 3.47 35
  129 4.1 41
//