MassBank Record: JP006131

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1,2,3-TRIMETHYLBENZENE; CI-B; MS

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

ACCESSION: JP006131
RECORD_TITLE: 1,2,3-TRIMETHYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: Cc(c1)c(C)c(C)cc1
CH$IUPAC: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
CH$LINK: INCHIKEY FYGHSUNMUKGBRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047769

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 110 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-0900000000-40ecbbb508b8b022f78d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  65 1.98 20
  77 3.9 39
  78 2.17 22
  79 4.59 46
  91 6.05 61
  103 3.26 33
  104 1.53 15
  105 59.06 591
  106 5.02 50
  119 26.6 266
  120 79.44 794
  121 99.99 999
  122 9.67 97
//