ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000177
RECORD_TITLE: ORTHO BROMOTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO BROMOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇Br
CH$EXACT_MASS: 169.97311
CH$SMILES: Cc(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
CH$LINK: INCHIKEY QSSXJPIWXQTSIX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2024660

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-006x-9400000000-7794c6b57fdd320dc8b6
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38 2.76 28
  39 11.12 111
  41 1.31 13
  43 1.09 11
  45 2.33 23
  50 5.45 55
  51 4.58 46
  61 1.82 18
  62 4.72 47
  63 11.7 117
  64 2.54 25
  65 23.84 238
  89 11.48 115
  90 8.36 84
  91 99.99 999
  92 7.12 71
  169 3.49 35
  170 46.88 469
  171 6.9 69
  172 45.28 453
  173 2.91 29
//