ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011317
RECORD_TITLE: 1,2,3-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$NAME: 1,2,3-TRIMETHYLBENZENE
CH$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$LINK: CAS 526-73-8
CH$LINK: INCHIKEY FYGHSUNMUKGBRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047769

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0ab9-2900000000-4249969893bf07e58bb1
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2.93 29
  39 5.53 55
  41 3.11 31
  50 1.58 16
  51 4.75 48
  52 1.52 15
  53 2.13 21
  58 2.22 22
  59 2.76 28
  63 2.5 25
  65 3.54 35
  77 9.29 93
  78 3.11 31
  79 6.14 61
  91 8.23 82
  92 1.53 15
  102 1.03 10
  103 5.3 53
  104 2.63 26
  105 99.99 999
  106 9.1 91
  115 3.31 33
  117 3.36 34
  118 1.24 12
  119 17.94 179
  120 72.16 722
  121 7.01 70
//