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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000179

PARA BROMOTOLUENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000179
RECORD_TITLE: PARA 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$NAME: PARA BROMOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Br
CH$EXACT_MASS: 169.97311
CH$SMILES: Cc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY ZBTMRBYMKUEVEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024661

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$SPLASH: splash10-0006-9200000000-32efe1e76fb8e365db77
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 1.31 13
  37 1.09 11
  38 3.05 31
  39 11.99 120
  50 6.47 65
  51 4.51 45
  61 1.53 15
  62 4.51 45
  63 11.63 116
  64 2.18 22
  65 19.62 196
  89 10.17 102
  90 7.56 76
  91 99.99 999
  92 7.12 71
  169 3.34 33
  170 23.55 236
  171 4.94 49
  172 22.67 227
  173 1.31 13
//

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