ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000936
RECORD_TITLE: 4-CHLORO-META-CRESOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-CHLORO-META-CRESOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇ClO
CH$EXACT_MASS: 142.01854
CH$SMILES: Oc(c1)cc(C)c(Cl)c1
CH$IUPAC: InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
CH$LINK: CAS 59-50-7
CH$LINK: INCHIKEY CFKMVGJGLGKFKI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021717

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-052f-3900000000-8cf263e1d6fb0ce457d9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  50 8.5 85
  51 17.4 174
  52 3.6 36
  53 0.77 8
  61 2.9 29
  62 4.9 49
  63 7.3 73
  71 0.22 2
  73 3.9 39
  74 3.1 31
  75 4.1 41
  77 4.37 44
  78 12.1 121
  79 11.8 118
  89 2.6 26
  105 0.63 6
  107 99.99 999
  108 8.3 83
  113 3.4 34
  141 0.78 8
  142 76.4 764
  143 9 90
  144 24.8 248
  145 2.2 22
//