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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000187

PARA CHLOROTOLUENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000187
RECORD_TITLE: PARA CHLOROTOLUENE; 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$NAME: PARA CHLOROTOLUENE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-002f-9300000000-98b502e29fa6a28fd64a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 1.15 12
  37 1.02 10
  38 1.78 18
  39 7.2 72
  41 1.27 13
  43 2.1 21
  44 1.78 18
  44.5 1.27 13
  45 4.59 46
  50 3.51 35
  51 3.51 35
  61 1.47 15
  62 3.19 32
  63 8.92 89
  64 1.66 17
  65 9.75 98
  73 2.36 24
  75 1.91 19
  89 9.43 94
  90 2.42 24
  91 99.99 999
  92 7.52 75
  99 2.55 26
  101 0.7 7
  125 14.66 147
  126 33.08 331
  127 7.01 70
  128 10.64 106
  129 0.76 8
//

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