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MassBank Record: JP012243

TOLUENE; CI-B; MS

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

ACCESSION: JP012243
RECORD_TITLE: TOLUENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
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$LINK: CAS 108-88-3
CH$LINK: INCHIKEY YXFVVABEGXRONW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021360

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0006-9200000000-40a95d60297275bbf5b7
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  91 5.25 53
  92 7.1 71
  93 99.99 999
  94 7.88 79
  105 1.19 12
  121 18.28 183
  122 1.74 17
  133 6.38 64
//

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