ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006167
RECORD_TITLE: BETA-BROMOPROPIONIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BETA-BROMOPROPIONIC ACID ETHYL ESTER
CH$NAME: ETHYL 3-BROMOPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉BrO₂
CH$EXACT_MASS: 179.97859
CH$SMILES: CCOC(=O)CCBr
CH$IUPAC: InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
CH$LINK: INCHIKEY FQTIYMRSUOADDK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060235

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-9100000000-a6d1452c1cd6bfa7f974
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  26 1.31 13
  27 34.25 343
  28 22.72 227
  29 99.99 999
  30 2.62 26
  31 2.21 22
  41 1.94 19
  43 2.05 21
  45 13.49 135
  55 3.71 37
  56 1.31 13
  73 12.98 130
  101 4.79 48
  107 7.42 74
  109 6.94 69
  135 4.35 44
  137 3.78 38
  152 6.1 61
  154 5.72 57
  180 0.32 3
  182 0.28 3
//