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MassBank Record: JP003417

TOLUENE; EI-B; MS

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

ACCESSION: JP003417
RECORD_TITLE: TOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8
CH$EXACT_MASS: 92.06260
CH$SMILES: Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: INCHIKEY YXFVVABEGXRONW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021360

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-21366c9a473a72238c27
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41 16.1 161
  43 22.5 225
  50 6 60
  52 5.1 51
  53 5.1 51
  56 41.3 413
  57 22.3 223
  62 0.46 5
  63 12 120
  64 5.3 53
  65 17 170
  71 0.53 5
  85 4.6 46
  89 9.1 91
  90 4.9 49
  91 99.99 999
  92 77.1 771
  93 8.5 85
//

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