ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007130
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0ab9-4900000000-5c2bc7e7be9e0d07f7c2
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 1.05 11
  27 4.92 49
  38 1.31 13
  39 10.44 104
  40 1.01 10
  41 3.5 35
  50 2.97 30
  51 7.72 77
  52 2.51 25
  53 3.26 33
  58 1.39 14
  59 1.86 19
  62 1.29 13
  63 3.89 39
  65 4.44 44
  74 1.23 12
  75 1.06 11
  77 13.84 138
  78 4.3 43
  79 5.89 59
  89 1.25 13
  91 11.3 113
  92 1.82 18
  102 1.19 12
  103 5.77 58
  104 2.97 30
  105 99.99 999
  106 9.3 93
  115 2.98 30
  117 2.28 23
  119 15.03 150
  120 62.07 621
  121 5.3 53
//