ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007512
RECORD_TITLE: 4-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$NAME: 4-CHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: CC(=O)Oc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C8H7ClO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
CH$LINK: CAS 876-27-7
CH$LINK: INCHIKEY KEUPLGRNURQXAR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80236502
AC$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: splash10-004i-7900000000-c38b967a069614441ae0
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  37 2.8 28
  38 5.7 57
  39 8.5 85
  41 0.13 1
  42 2.3 23
  43 37.6 376
  44 2.7 27
  49 0.15 2
  50 4 40
  51 1.4 14
  53 1.1 11
  55 0.13 1
  61 2.2 22
  62 4.8 48
  63 11.5 115
  64 0.5 5
  65 10.6 106
  66 1.3 13
  69 0.9 9
  72 0.11 1
  73 8.5 85
  74 3 30
  75 5.2 52
  76 0.09 1
  77 0.9 9
  92 1.3 13
  93 2.8 28
  94 0.09 1
  99 10.4 104
  100 7.1 71
  101 3.3 33
  102 0.23 2
  111 1.6 16
  127 1.6 16
  128 99.99 999
  129 0.73 7
  130 33.1 331
  131 1.9 19
  170 11.5 115
  171 0.1 1
  172 3.9 39
//
