ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004214
RECORD_TITLE: 2,3-DIBROMO-2-METHYLPROPIONIC ACID METHYLESTER; 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$NAME: 2,3-DIBROMO-2-METHYLPROPIONIC ACID METHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8Br2O2
CH$EXACT_MASS: 257.88910
CH$SMILES: COC(=O)C(C)(Br)CBr
CH$IUPAC: InChI=1S/C5H8Br2O2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3
CH$LINK: CAS 3673-79-8
CH$LINK: INCHIKEY GVLXNUSEDDXIGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50336523
AC$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: splash10-0lmi-9800000000-48042e4a1131b236031b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  43 7.7 77
  44 2.5 25
  53 3.8 38
  55 1.42 14
  57 5.1 51
  59 79.2 792
  60 1.2 12
  69 99.99 999
  70 5.1 51
  71 1.2 12
  82 2.5 25
  85 0.51 5
  89 3.8 38
  99 22 220
  100 45.4 454
  119 1.68 17
  120 19.4 194
  121 18.1 181
  122 19.4 194
  151 2.46 25
  153 22 220
  179 76.6 766
  180 3.8 38
  181 7.53 75
  182 1.2 12
  199 5.1 51
  201 7.7 77
  203 0.25 3
  217 1.2 12
//
