ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009504
RECORD_TITLE: ETHYL 3-BROMOPROPIONATE; 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$NAME: ETHYL 3-BROMOPROPIONATE
CH$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$LINK: CAS 539-74-2
CH$LINK: COMPTOX DTXSID9060235
CH$LINK: INCHIKEY FQTIYMRSUOADDK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:68320

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$SPLASH: splash10-004i-9200000000-fc5bfcf02d6f8306f710
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  14 5.32 53
  15 13.05 131
  25 2.14 21
  26 39.83 398
  27 99.99 999
  28 49.43 494
  29 70.84 708
  30 10.34 103
  31 4.09 41
  41 1.84 18
  42 7.15 72
  43 11.72 117
  44 1.91 19
  45 10.79 108
  53 1.68 17
  55 9.67 97
  56 2.06 21
  73 12.45 125
  79 4.91 49
  80 1.76 18
  81 5.12 51
  82 1.84 18
  93 2.33 23
  95 1.77 18
  101 6.5 65
  106 1.62 16
  107 18.34 183
  108 2.14 21
  109 15.18 152
  135 9.73 97
  137 10.44 104
  152 17.63 176
  153 1.07 11
  154 17.14 171
  155 1.13 11
  180 1.15 12
  182 1.02 10
//