ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000006
RECORD_TITLE: 2,3-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$NAME: 2,3-DICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4Cl2O
CH$EXACT_MASS: 161.96392
CH$SMILES: Oc(c1)c(Cl)c(Cl)cc1
CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
CH$LINK: INCHIKEY UMPSXRYVXUPCOS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025001
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$SPLASH: splash10-03di-9600000000-b51f95c4e14bee1d33be
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  51 4.43 44
  53 10.39 104
  60 9.21 92
  61 24.93 249
  62 43.19 432
  63 99.99 999
  64 12.57 126
  65 4.81 48
  66 3.39 34
  71 3.67 37
  72 15.34 153
  73 25.07 251
  74 11.84 118
  75 8.79 88
  81 4.78 48
  82 3.25 33
  83 2.63 26
  84 3.87 39
  85 2.49 25
  87 5.09 51
  89 2.21 22
  91 6.02 60
  96 3.11 31
  97 12.05 121
  98 35.88 359
  99 22.09 221
  100 13.5 135
  101 6.26 63
  107 3.33 33
  109 2.73 27
  125 3.11 31
  126 59.16 592
  127 5.61 56
  128 19.32 193
  133 5.33 53
  135 2.84 28
  161 2.52 25
  162 68.96 690
  163 6.51 65
  164 51.64 516
  165 2.9 29
  166 7.58 76
//
