ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000004
RECORD_TITLE: 2,5-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$NAME: 2,5-DICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4Cl2O
CH$EXACT_MASS: 161.96392
CH$SMILES: Oc(c1)c(Cl)ccc(Cl)1
CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
CH$LINK: INCHIKEY RANCECPPZPIPNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025003
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$SPLASH: splash10-03di-9400000000-f622342b16fe9e0caff0
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  51 5.05 51
  52 2.29 23
  53 22.87 229
  59 3.69 37
  60 16.58 166
  61 33.26 333
  62 62.1 621
  63 99.99 999
  64 11.61 116
  65 2.73 27
  66 4.11 41
  71 2.98 30
  72 12.03 120
  73 32.28 323
  74 12.69 127
  75 11.42 114
  81 6.65 67
  82 4.64 46
  83 3.82 38
  84 3.02 30
  85 2.81 28
  87 2.86 29
  89 2.17 22
  90 2.05 21
  91 6.28 63
  96 3.57 36
  97 15.64 156
  98 39 390
  99 33.72 337
  100 13.84 138
  101 10.87 109
  126 9.01 90
  127 3.11 31
  128 3.25 33
  133 6.28 63
  134 4.28 43
  135 4.21 42
  136 2.59 26
  161 11.74 117
  162 89.04 890
  163 12.37 124
  164 52.89 529
  165 4.62 46
  166 8.78 88
//
