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MassBank Record: JP006107

1-OCTANOL; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006107
RECORD_TITLE: 1-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

CH$NAME: 1-OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCCCO
CH$IUPAC: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY KBPLFHHGFOOTCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021940

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$SPLASH: splash10-00di-9100000000-6cd9a9930b3570fde113
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  67 1.78 18
  68 3.87 39
  69 29.98 300
  70 15.92 159
  72 99.99 999
  82 2.64 26
  83 10.69 107
  84 12.11 121
  111 5.82 58
  112 1.78 18
  113 19.06 191
  114 1.46 15
  129 2.11 21
//

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