ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004702
RECORD_TITLE: 2-BROMO-1,3,5-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-BROMO-1,3,5-TRIMETHYLBENZENE
CH$NAME: MESITYLBROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁Br
CH$EXACT_MASS: 198.00441
CH$SMILES: Cc(c1)cc(C)c(Br)c(C)1
CH$IUPAC: InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
CH$LINK: CAS 576-83-0
CH$LINK: INCHIKEY RRTLQRYOJOSPEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060363

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0gba-2920000000-ab319d49dafecca67e58
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  50 2.56 26
  51 7.12 71
  52 2.38 24
  53 2.93 29
  57 4.52 45
  58 8.48 85
  59 2.04 20
  62 1.39 14
  63 4.2 42
  64 1.03 10
  65 5.4 54
  74 1.33 13
  75 1.58 16
  76 1.21 12
  77 10.61 106
  78 4.77 48
  79 4.09 41
  89 1.73 17
  91 22.71 227
  92 2.7 27
  93 3.29 33
  98 2.49 25
  99 3.12 31
  102 2.2 22
  103 10.67 107
  104 7.06 71
  105 10.09 101
  107 7.31 73
  115 8.05 81
  116 2.31 23
  117 14.88 149
  118 8.85 89
  119 99.99 999
  120 30.21 302
  121 5.24 52
  135 1.32 13
  149 2.21 22
  164 2.77 28
  183 5.85 59
  185 5.76 58
  197 4.53 45
  198 66.92 669
  199 11.28 113
  200 66.11 661
  201 2.24 22
//