ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000186
RECORD_TITLE: META 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$NAME: META CHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: Cc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
CH$LINK: INCHIKEY OSOUNOBYRMOXQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4052841

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$SPLASH: splash10-002f-9300000000-9e9f5b8aed1c308f8da7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38 1.52 15
  39 7.79 78
  41 1.1 11
  43 1.17 12
  45 2.07 21
  50 3.38 34
  51 3.38 34
  61 1.45 15
  62 3.38 34
  63 9.38 94
  64 1.38 14
  65 11.72 117
  73 1.52 15
  75 1.59 16
  89 11.03 110
  90 2 20
  91 99.99 999
  92 7.03 70
  99 1.93 19
  101 0.61 6
  125 10.48 105
  126 39.03 390
  127 6.14 61
  128 12.55 126
  129 0.69 7
//