ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009505
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: 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 30 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0fb9-8900000000-fbb2112ee894f1ecc5e0
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 2.67 27
  26 6.43 64
  27 48.15 482
  28 34.45 345
  29 99.99 999
  30 3.51 35
  31 6.75 68
  32 2.67 27
  41 3.02 30
  42 1.93 19
  43 5.95 60
  44 1.5 15
  45 19.82 198
  55 13.76 138
  56 3.23 32
  73 34.07 341
  74 1.36 14
  80 1.2 12
  82 1.17 12
  101 21.13 211
  102 1.26 13
  106 2.52 25
  107 39.57 396
  108 5.34 53
  109 37.9 379
  110 3.02 30
  135 33.07 331
  136 1.33 13
  137 32.3 323
  138 1.1 11
  152 63.25 633
  153 3.72 37
  154 62.21 622
  155 3.49 35
  180 3.93 39
  182 3.84 38
//