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MassBank Record: JP005271

O-CHLOROTOLUENE; EI-B; MS

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

ACCESSION: JP005271
RECORD_TITLE: O-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$NAME: O-CHLOROTOLUENE
CH$NAME: 2-CHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: Cc(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
CH$LINK: INCHIKEY IBSQPLPBRSHTTG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023977

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$SPLASH: splash10-002f-9200000000-5c62ea65db101410dcba
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 1.2 12
  37 1.39 14
  38 2.32 23
  39 9.28 93
  43 1.9 19
  44 2.07 21
  44.5 1.67 17
  45 6.7 67
  50 4.08 41
  51 4.46 45
  61 2.07 21
  62 4.59 46
  63 11.89 119
  64 2.65 27
  65 8.26 83
  73 2.32 23
  74 1.25 13
  75 1.58 16
  86 1.16 12
  89 13.19 132
  90 10.87 109
  91 99.99 999
  92 7.98 80
  99 2.16 22
  125 10.49 105
  126 38.03 380
  127 6.13 61
  128 12.54 125
  129 1.02 10
//

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