ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010450
RECORD_TITLE: CHLOROBENZENE; 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$NAME: CHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅Cl
CH$EXACT_MASS: 112.00798
CH$SMILES: Clc(c1)cccc1
CH$IUPAC: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY MVPPADPHJFYWMZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020298

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-03di-9500000000-12a9a9ae9833f5dbfa91
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 3.19 32
  27 3.08 31
  35 1.67 17
  36 1.43 14
  37 7.3 73
  38 11.66 117
  39 4.92 49
  49 5.45 55
  50 28.58 286
  51 31.65 317
  52 2.45 25
  56 3.47 35
  57 1.11 11
  60 1.58 16
  61 2.16 22
  62 1.92 19
  63 1.92 19
  72 1.05 11
  73 5.19 52
  74 10.75 108
  75 9.3 93
  76 6.5 65
  77 63.88 639
  78 4.38 44
  84 1.23 12
  85 1.5 15
  86 1.37 14
  112 99.99 999
  113 6.89 69
  114 32.11 321
  115 2.16 22
//