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MassBank Record: JP002103

BENZENE; EI-B; MS

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

ACCESSION: JP002103
RECORD_TITLE: BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-004i-9000000000-70967112fec69784847c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  26 1.14 11
  27 1.49 15
  37 2.13 21
  38 3.41 34
  39 10.94 109
  49 1.56 16
  50 11.51 115
  51 14.77 148
  52 18.82 188
  63 2.13 21
  73 1.49 15
  74 4.26 43
  75 1.63 16
  76 4.62 46
  77 21.16 212
  78 99.99 999
  79 6.46 65
//

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