ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000003
RECORD_TITLE: 3,4-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$NAME: 3,4-DICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄Cl₂O
CH$EXACT_MASS: 161.96392
CH$SMILES: Oc(c1)cc(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
CH$LINK: INCHIKEY WDNBURPWRNALGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025005

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$SPLASH: splash10-03di-7900000000-e1e170f3a5ca7a8cc125
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  51 2.25 23
  53 6.4 64
  60 4.13 41
  61 9.78 98
  62 20.36 204
  63 32.41 324
  64 5.58 56
  71 2.16 22
  72 8.31 83
  73 13.57 136
  74 6.23 62
  75 5.23 52
  81 8.28 83
  82 5.27 53
  83 2.81 28
  91 2.06 21
  97 6.25 63
  98 25.55 256
  99 33.74 337
  100 9.84 98
  101 12.32 123
  107 2.31 23
  109 2.08 21
  126 7.67 77
  127 3.67 37
  128 2.81 28
  133 5.09 51
  134 7.44 74
  135 3.61 36
  136 4.75 48
  161 3.6 36
  162 99.99 999
  163 8.7 87
  164 62.28 623
  165 4.54 45
  166 9.78 98
//