ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011228
RECORD_TITLE: 4-CHLOROPHENYLACETIC 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$NAME: 4-CHLOROPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇ClO₂
CH$EXACT_MASS: 170.01346
CH$SMILES: OC(=O)Cc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
CH$LINK: INCHIKEY CDPKJZJVTHSESZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7062031

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-2900000000-c56933d8bfb8b41c4a0f
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  36 0.5 5
  38 0.2 2
  39 1.2 12
  40 0.1 1
  41 0.2 2
  44 0.6 6
  45 0.5 5
  51 0.6 6
  52 0.1 1
  53 0.2 2
  63 2 20
  64 0.4 4
  65 1.9 19
  66 0.1 1
  73 0.7 7
  75 0.8 8
  76 0.1 1
  77 2.4 24
  78 0.4 4
  79 0.7 7
  89 12.9 129
  90 4.4 44
  91 15.4 154
  92 1.2 12
  99 4.2 42
  100 0.3 3
  101 1.4 14
  105 0.3 3
  107 0.3 3
  111 0.2 2
  113 0.2 2
  116 0.8 8
  122 0.1 1
  123 0.2 2
  124 1.1 11
  125 99.99 999
  126 8.5 85
  127 32.6 326
  128 3 30
  129 0.1 1
  130 0.1 1
  135 0.2 2
  139 0.3 3
  141 0.2 2
  151 0.2 2
  152 1.2 12
  153 0.2 2
  154 0.4 4
  169 0.1 1
  170 37.4 374
  171 3.4 34
  172 12.4 124
  173 1.1 11
  174 0.1 1
//