MassBank Record: JP006168

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ALPHA-BROMOPROPIONIC ACID ETHYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006168
RECORD_TITLE: ALPHA-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$NAME: ALPHA-BROMOPROPIONIC ACID ETHYL ESTER
CH$NAME: ETHYL 2-BROMOPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9BrO2
CH$EXACT_MASS: 179.97859
CH$SMILES: CCOC(=O)C(C)Br
CH$IUPAC: InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
CH$LINK: INCHIKEY ARFLASKVLJTEJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90871746

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$SPLASH: splash10-004i-9100000000-cd736fd194f13d58c3e8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 25.36 254
  28 14.23 142
  29 99.99 999
  30 2.1 21
  31 1.26 13
  41 5.15 52
  45 5.71 57
  55 2.52 25
  56 3.99 40
  57 13.09 131
  73 1.24 12
  106 1.51 15
  107 9.04 90
  109 8.32 83
  110 2.62 26
  135 1.19 12
  137 1.19 12
  180 0.73 7
  182 0.65 7
//