MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006166

BROMOACETIC ACID ETHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006166
RECORD_TITLE: BROMOACETIC 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

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CH$NAME: BROMOACETIC ACID ETHYL ESTER
CH$NAME: ETHYL BROMOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇BrO₂
CH$EXACT_MASS: 165.96294
CH$SMILES: CCOC(=O)CBr
CH$IUPAC: InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
CH$LINK: INCHIKEY PQJJJMRNHATNKG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020587

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-004i-9000000000-903ad0186a1316ae6515
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 16.87 169
  28 28.3 283
  29 99.99 999
  30 1.86 19
  31 1.93 19
  41 2.5 25
  43 15 150
  45 4.49 45
  60 1.29 13
  87 1.37 14
  121 4.09 41
  123 3.52 35
  138 1.54 15
  140 1.43 14
  166 0.55 6
  168 0.54 5
//