ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002892
RECORD_TITLE: 3-CHLORO-4-HYDROXY PHENYL ACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-CHLORO-4-HYDROXY PHENYL ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO3
CH$EXACT_MASS: 186.00837
CH$SMILES: OC(=O)Cc(c1)cc(Cl)c(O)c1
CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
CH$LINK: INCHIKEY IYTUKSIOQKTZEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60187381
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-5900000000-d67134b1307205aa5015
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 3.05 31
  28 10.33 103
  38 5.04 50
  39 3.72 37
  44 6.29 63
  45 3.05 31
  50 6.86 69
  51 22.13 221
  52 5.64 56
  53 4.79 48
  56 2.1 21
  62 2.1 21
  63 2.52 25
  71 2.58 26
  73 2.19 22
  74 2.02 20
  75 3.32 33
  77 32.52 325
  78 5.57 56
  105 7.47 75
  107 6.22 62
  112 2.58 26
  140 4.38 44
  141 99.99 999
  142 10.02 100
  143 37.4 374
  144 3.19 32
  186 34.23 342
  187 2.9 29
  188 10.77 108
//
