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MassBank Record: JP002348

HEXANE; EI-B; MS

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

ACCESSION: JP002348
RECORD_TITLE: HEXANE; 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$NAME: HEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14
CH$EXACT_MASS: 86.10955
CH$SMILES: CCCCCC
CH$IUPAC: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY VLKZOEOYAKHREP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021917

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-8ab77db137ff0d1e75f0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  40 44.96 450
  42 29.81 298
  43 58.89 589
  53 1.21 12
  55 6.01 60
  56 45.71 457
  57 99.99 999
  58 4.67 47
  70 1.34 13
  71 8.22 82
  86 19.66 197
  87 1.35 14
//

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