ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007669
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,3,5-TRIMETHYLBENZENE
CH$NAME: MESITYLENE
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: CAS 108-67-8
CH$LINK: INCHIKEY AUHZEENZYGFFBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026797

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-915fdce919b5b36327c3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 5.41 54
  38 1.09 11
  39 9.79 98
  40 1.34 13
  41 4.93 49
  50 2.98 30
  51 7.48 75
  52 2.62 26
  53 3.53 35
  57.5 1.46 15
  58 1.95 20
  59 2.31 23
  62 1.34 13
  63 4.2 42
  65 5.41 54
  74 1.09 11
  77 13.38 134
  78 4.62 46
  79 10.89 109
  89 1.22 12
  91 9.91 99
  92 1.52 15
  102 1.16 12
  103 7.18 72
  104 2.62 26
  105 99.99 999
  106 8.76 88
  115 3.35 34
  117 2.74 27
  119 12.1 121
  120 49.82 498
  121 4.87 49
//