MassBank Record: JP006296

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ALPHA-BROMO-O-XYLENE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP006296
RECORD_TITLE: ALPHA-BROMO-O-XYLENE; 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$NAME: ALPHA-BROMO-O-XYLENE
CH$NAME: 2-METHYLBENZYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9Br
CH$EXACT_MASS: 183.98876
CH$SMILES: BrCc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
CH$LINK: CAS 89-92-9
CH$LINK: INCHIKEY WGVYCXYGPNNUQA-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a6r-9700000000-c7d4e2510ed9836b6041
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 2.8 28
  26 3.14 31
  27 10.73 107
  28 1.22 12
  29 1.1 11
  31 1.26 13
  32 1.11 11
  37 1.68 17
  38 5.22 52
  39 15.25 153
  40 1.61 16
  41 0.83 8
  49 1.07 11
  50 10.3 103
  51 18.4 184
  52 7.18 72
  53 2.47 25
  61 1.54 15
  62 4.24 42
  63 9.63 96
  64 2.01 20
  65 3.52 35
  66 0.58 6
  74 2.84 28
  75 2.08 21
  76 2.19 22
  77 17.96 180
  78 11.61 116
  79 14.58 146
  80 1.09 11
  81 2.85 29
  82 0.93 9
  87 0.63 6
  89 2.88 29
  90 1.1 11
  91 1.88 19
  92 0.63 6
  102 2.6 26
  103 13.08 131
  104 8.71 87
  105 99.99 999
  106 9.21 92
  171 0.52 5
  184 4.58 46
  185 0.64 6
  186 4.44 44
//