ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000008
RECORD_TITLE: 3,5-DICHLOROPHENOL; 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$NAME: 3,5-DICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄Cl₂O
CH$EXACT_MASS: 161.96392
CH$SMILES: Oc(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
CH$LINK: INCHIKEY VPOMSPZBQMDLTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025006

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-03di-6900000000-4af936cc228fde5d0777
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  51 1.24 12
  53 4.19 42
  60 3.61 36
  61 8.59 86
  62 16.38 164
  63 31.53 315
  64 4.94 49
  72 4.88 49
  73 10.01 100
  74 4.53 45
  75 3.92 39
  81 6.85 69
  82 4.37 44
  83 2.46 25
  97 7.3 73
  98 27.86 279
  99 28.43 284
  100 10.31 103
  101 9.88 99
  126 8.1 81
  127 4.51 45
  128 3.3 33
  133 4.08 41
  134 6.58 66
  135 2.96 30
  136 4.15 42
  161 3.31 33
  162 99.99 999
  163 8.57 86
  164 60.06 601
  165 4.43 44
  166 9.68 97
//