ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012260
RECORD_TITLE: 1,2,3-TRIMETHYLBENZENE; 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$NAME: 1,2,3-TRIMETHYLBENZENE
CH$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$LINK: CAS 526-73-8
CH$LINK: INCHIKEY FYGHSUNMUKGBRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047769

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$SPLASH: splash10-00di-0900000000-9945be0d63dac3143358
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  119 16.32 163
  120 8.87 89
  121 99.99 999
  122 9.77 98
  149 17.23 172
  150 2.05 21
  161 5.52 55
//