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MassBank Record: JP005272

P-CHLOROTOLUENE; EI-B; MS

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

ACCESSION: JP005272
RECORD_TITLE: P-CHLOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: P-CHLOROTOLUENE
CH$NAME: 4-CHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: Cc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY NPDACUSDTOMAMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024814

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-002f-9300000000-06a13ca9fc2642d0199a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.29 13
  37 1.39 14
  38 2.27 23
  39 8.59 86
  41 1.03 10
  43 2.12 21
  44 2.07 21
  44.5 1.75 18
  45 7.03 70
  50 4.97 50
  51 4.29 43
  61 2.07 21
  62 4.4 44
  63 10.76 108
  64 2.12 21
  65 8.07 81
  73 2.84 28
  74 1.55 16
  75 2.07 21
  86 1.14 11
  87 1.03 10
  89 8.95 90
  90 3.15 32
  91 99.99 999
  92 7.97 80
  99 2.58 26
  125 16.97 170
  126 40.34 403
  127 7.96 80
  128 12.78 128
  129 1.13 11
//

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