ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006133
RECORD_TITLE: 1,3,5-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$NAME: 1,3,5-TRIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: Cc(c1)cc(C)cc(C)1
CH$IUPAC: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
CH$LINK: INCHIKEY AUHZEENZYGFFBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026797

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-0900000000-32eb02542adfc0e008d1
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  65 1.79 18
  77 3.34 33
  78 1.86 19
  79 3.82 38
  91 5.21 52
  103 2.91 29
  104 1.41 14
  105 52.44 524
  106 4.48 45
  119 29.26 293
  120 80.72 807
  121 99.99 999
  122 9.68 97
//