ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000005
RECORD_TITLE: 2,6-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$NAME: 2,6-DICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄Cl₂O
CH$EXACT_MASS: 161.96392
CH$SMILES: Clc(c1)c(O)c(Cl)cc1
CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
CH$LINK: INCHIKEY HOLHYSJJBXSLMV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025004

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$SPLASH: splash10-03di-7900000000-7130f47067fc70db66c5
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  53 7.25 73
  60 3 30
  61 8.88 89
  62 17.84 178
  63 70.92 709
  64 8.02 80
  65 2.01 20
  72 5.48 55
  73 12.35 124
  74 4.63 46
  75 4.81 48
  81 6.73 67
  82 4.37 44
  83 2.09 21
  91 3.83 38
  97 7.27 73
  98 34.04 340
  99 15.04 150
  100 13.17 132
  101 4.37 44
  107 2.61 26
  125 2.01 20
  126 33.42 334
  127 3.34 33
  128 11.41 114
  133 3.34 33
  135 2.17 22
  161 2.35 24
  162 99.99 999
  163 8.23 82
  164 63.43 634
  165 4.35 44
  166 9.91 99
//