ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010562
RECORD_TITLE: METHYL DIBROMOPYRUVATE; 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$NAME: METHYL DIBROMOPYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄Br₂O₃
CH$EXACT_MASS: 257.85272
CH$SMILES: COC(=O)C(=O)C(Br)Br
CH$IUPAC: InChI=1S/C4H4Br2O3/c1-9-4(8)2(7)3(5)6/h3H,1H3
CH$LINK: INCHIKEY BBEUKZFDZWGLQL-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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-06di-9300000000-aa08584b93435fdf9c7e
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  12 1.83 18
  13 7.22 72
  14 6.54 65
  15 70 700
  16 3.35 34
  17 19.58 196
  18 76 760
  25 2.93 29
  26 2.72 27
  27 10.63 106
  28 43.02 430
  29 22.87 229
  30 6.39 64
  31 2.83 28
  32 9.05 91
  36 2.31 23
  39 1.94 19
  40 1.62 16
  41 19.1 191
  42 16.23 162
  43 9.05 91
  44 3.93 39
  45 10.78 108
  49 1.94 19
  53 4.92 49
  55 1.73 17
  57 2.2 22
  59 99.99 999
  60 2.3 23
  76 1.05 11
  77 2.51 25
  79 9.11 91
  80 4.08 41
  81 8.37 84
  82 3.51 35
  91 4.92 49
  92 15.02 150
  93 8.37 84
  94 15.49 155
  95 3.87 39
  105 1.36 14
  107 3.87 39
  109 2.46 25
  120 47 470
  121 5.44 54
  122 47.42 474
  123 5.97 60
  135 3.45 35
  137 4.24 42
  171 13.97 140
  173 28.73 287
  175 13.24 132
  180 1.2 12
  182 1.05 11
  199 3.3 33
  200 2.36 24
  201 6.28 63
  202 1.1 11
  203 2.88 29
  230 1.57 16
  232 3.4 34
  234 1.47 15
  260 0.99 10
//