ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001538
RECORD_TITLE: 1.2.4-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1.2.4-TRIMETHYLBENZENE
CH$NAME: PSEUDOCUMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: Cc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
CH$LINK: INCHIKEY GWHJZXXIDMPWGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021402

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0ab9-4900000000-cd43d59aff7151b5c417
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 6.15 62
  38 1.11 11
  39 10.29 103
  40 1.29 13
  41 5.26 53
  50 3.14 31
  51 8.21 82
  52 2.87 29
  53 3.61 36
  57.5 1.92 19
  58 2.4 24
  59 2.77 28
  62 1.46 15
  63 4.33 43
  65 5.56 56
  74 1.25 13
  75 1.2 12
  77 12.71 127
  78 4.73 47
  79 8.09 81
  89 1.37 14
  91 10.05 101
  92 1.75 18
  102 1.41 14
  103 6.44 64
  104 3.2 32
  105 99.99 999
  106 9.24 92
  115 3.38 34
  116 3.39 34
  119 15.28 153
  120 60.8 608
  121 6.3 63
//