ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009595
RECORD_TITLE: ETHYL 3-BROMOBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-BROMOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉BrO₂
CH$EXACT_MASS: 227.97859
CH$SMILES: CCOC(=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY QAUASTLEZAPQTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40179143

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0uei-1950000000-1365544da0e8a94b5a36
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  28 4.3 43
  29 8.5 85
  45 0.8 8
  51 1 10
  65 6.1 61
  75 7.7 77
  76 1.39 14
  77 5.7 57
  103 2.7 27
  104 7.3 73
  105 0.41 4
  121 2.1 21
  131 2.1 21
  149 21.4 214
  150 0.23 2
  155 27.7 277
  156 2.8 28
  157 28.3 283
  158 0.26 3
  183 99.99 999
  184 12.8 128
  185 97 970
  186 1.19 12
  200 60.6 606
  201 4.9 49
  202 57.5 575
  203 0.45 5
  210 2.8 28
  212 2.6 26
  213 2.3 23
  215 0.17 2
  227 1 10
  228 43.9 439
  229 5.5 55
  230 4.25 43
  231 4.2 42
//