MassBank Record: JP004691

Home Search Record Index

ORTHO-BROMOTOLUENE; EI-B; MS

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

ACCESSION: JP004691
RECORD_TITLE: ORTHO-BROMOTOLUENE; 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$NAME: ORTHO-BROMOTOLUENE
CH$NAME: 2-BROMOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Br
CH$EXACT_MASS: 169.973109999999991259755915962159633636474609375
CH$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: CAS 95-46-5
CH$LINK: COMPTOX DTXSID2024660
CH$LINK: INCHIKEY QSSXJPIWXQTSIX-UHFFFAOYSA-N

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$SPLASH: splash10-006x-9500000000-1eab3a6a4824ddea82d3
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43 1.66 17
  44 1.34 13
  45 5.14 51
  50 4.54 45
  51 5 50
  52 1.1 11
  61 1.95 20
  62 5.36 54
  63 13.02 130
  64 3.76 38
  65 18.1 181
  74 1.63 16
  75 1.45 15
  85 2.87 29
  86 2.83 28
  89 17.89 179
  90 19.95 200
  91 99.99 999
  92 7.8 78
  169 4.72 47
  170 53.31 533
  171 8.59 86
  172 52.39 524
  173 4.08 41
//