ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006052
RECORD_TITLE: 1,2,3-TRIMETHYLBENZENE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ab9-0900000000-efe82e901f88e2397487
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77 2.12 21
  79 3.48 35
  91 2.75 28
  92 1 10
  103 1.96 20
  104 1.27 13
  105 99.99 999
  106 8.39 84
  117 1.14 11
  119 10.77 108
  120 87.74 877
  121 8.42 84
//