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MassBank Record: JP002347

BENZENE; EI-B; MS

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

ACCESSION: JP002347
RECORD_TITLE: BENZENE; 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$NAME: BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6
CH$EXACT_MASS: 78.04695
CH$SMILES: c(c1)cccc1
CH$IUPAC: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
CH$LINK: INCHIKEY UHOVQNZJYSORNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3039242

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$SPLASH: splash10-004i-9000000000-92ccc664b07cb6c56de9
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  49 1.28 13
  50 10.55 106
  51 13.86 139
  52 15.31 153
  63 2.33 23
  73 1.3 13
  74 4.15 42
  75 1.73 17
  76 4.06 41
  77 17.73 177
  78 99.99 999
  79 7.21 72
//

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