ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010565
RECORD_TITLE: METHYL DICHLOROPYRUVATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL DICHLOROPYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄Cl₂O₃
CH$EXACT_MASS: 169.95375
CH$SMILES: COC(=O)C(=O)C(Cl)Cl
CH$IUPAC: InChI=1S/C4H4Cl2O3/c1-9-4(8)2(7)3(5)6/h3H,1H3
CH$LINK: INCHIKEY UKGAJIPDOCPNDX-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 12 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-9000000000-0fc4a81612e8b21568cf
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 17.94 179
  18 2.91 29
  19 1.31 13
  29 11.77 118
  31 8.46 85
  32 3.31 33
  36 7.71 77
  38 2.34 23
  42 24.63 246
  43 11.6 116
  44 2.63 26
  45 7.03 70
  47 5.09 51
  48 1.31 13
  49 10.23 102
  50 2.23 22
  51 3.94 39
  59 99.99 999
  60 13.83 138
  61 1.54 15
  63 2.4 24
  75 1.09 11
  76 7.6 76
  77 36 360
  78 3.37 34
  79 12.23 122
  83 10.46 105
  85 6.63 66
  95 3.43 34
  105 2.74 27
  109 1.14 11
  111 1.89 19
  113 1.03 10
  117 7.31 73
  129 2.11 21
  131 1.37 14
  136 3.14 31
  137 2.23 22
  138 1.2 12
//