ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011311
RECORD_TITLE: ETHYL 2-BROMOPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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$LINK: CAS 535-11-5
CH$LINK: INCHIKEY ARFLASKVLJTEJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90871746

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-056r-9500000000-843d57926d0c18b539cc
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  14 1.28 13
  15 5.13 51
  25 1.26 13
  26 18.37 184
  27 73.38 734
  28 34.25 343
  29 99.99 999
  30 2.68 27
  31 4.16 42
  41 11.46 115
  42 2.4 24
  43 14.44 144
  44 1.12 11
  45 16.52 165
  53 1.45 15
  55 13.61 136
  56 15.04 150
  57 41.33 413
  58 2.36 24
  73 5.43 54
  74 2.22 22
  79 2.13 21
  80 1.04 10
  81 2.18 22
  101 5.48 55
  106 9.17 92
  107 60.74 607
  108 24.73 247
  109 59.08 591
  110 15.26 153
  135 12.69 127
  136 1 10
  137 12.34 123
  152 4.81 48
  154 4.82 48
  180 15.31 153
  181 1.11 11
  182 15.09 151
  183 1.03 10
//