ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000185
RECORD_TITLE: ORTHO 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$NAME: ORTHO CHLOROTOLUENE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9200000000-356925e1460b36cb882a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  37 1.03 10
  38 1.94 19
  39 7.94 79
  41 1.16 12
  43 1.94 19
  44 1.35 14
  44.5 1.23 12
  45 4.65 47
  50 3.1 31
  51 3.55 36
  61 1.68 17
  62 3.42 34
  63 9.94 99
  64 1.94 19
  65 9.68 97
  73 1.87 19
  75 1.68 17
  89 14.71 147
  90 8.58 86
  91 99.99 999
  92 7.35 74
  99 2 20
  101 0.65 7
  125 8.65 87
  126 31.48 315
  127 5.03 50
  128 9.87 99
  129 0.65 7
//