MassBank Record: JP006131



 1,2,3-TRIMETHYLBENZENE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006131
RECORD_TITLE: 1,2,3-TRIMETHYLBENZENE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, 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 //

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