ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007511
RECORD_TITLE: 3-CHLOROPHENYL ACETATE; 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$NAME: 3-CHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: CC(=O)Oc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C8H7ClO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
CH$LINK: CAS 13031-39-5
CH$LINK: INCHIKEY GQTKYLQYHPTULY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60879335
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-004l-7900000000-2cf3e48f52bccc9c284b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  38 4.2 42
  39 5.1 51
  41 3 30
  42 0.33 3
  43 71.4 714
  44 3.9 39
  50 3.3 33
  57 0.27 3
  62 3 30
  63 9.7 97
  64 6.6 66
  65 0.75 8
  69 3 30
  73 3.9 39
  74 2.7 27
  75 0.66 7
  92 2.7 27
  99 6.3 63
  100 3 30
  101 0.33 3
  111 3 30
  113 2.7 27
  128 99.99 999
  129 0.63 6
  130 30 300
  139 6 60
  168 6.9 69
  170 2.27 23
  172 6.9 69
//
