ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000024
RECORD_TITLE: 4-CHLOROPHENOL; 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$NAME: 4-CHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClO
CH$EXACT_MASS: 128.00289
CH$SMILES: Oc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
CH$LINK: INCHIKEY WXNZTHHGJRFXKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021871

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$SPLASH: splash10-004i-8900000000-f5b8d40439248259fba6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  51 3.61 36
  53 6.82 68
  60 2.09 21
  61 6.99 70
  62 10.51 105
  63 21.62 216
  64 27.51 275
  65 55.63 556
  66 4.33 43
  72 3.05 31
  73 9.37 94
  74 4.83 48
  75 5.09 51
  92 4.67 47
  93 4.23 42
  98 2.35 24
  99 11.16 112
  100 17.11 171
  101 4.28 43
  102 5.62 56
  127 32.15 322
  128 99.99 999
  129 14.26 143
  130 30.67 307
  131 2.18 22
//