MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004217

TRIBROMOACETIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004217
RECORD_TITLE: TRIBROMOACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: TRIBROMOACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃Br₃O₂
CH$EXACT_MASS: 307.76832
CH$SMILES: COC(=O)C(Br)(Br)Br
CH$IUPAC: InChI=1S/C3H3Br3O2/c1-8-2(7)3(4,5)6/h1H3
CH$LINK: INCHIKEY QQHSHLKOWBDOFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20334394

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4l-9200000000-e61e093dd7475eb54ffb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38 1.9 19
  40 19 190
  43 32.5 325
  51 0.19 2
  53 3 30
  59 99.99 999
  60 3.7 37
  80 0.17 2
  82 1.7 17
  107 1.7 17
  121 17.6 176
  123 1.65 17
  149 7 70
  151 7.5 75
  173 1.9 19
  187 0.17 2
  213 2.8 28
  215 5.3 53
  216 2.6 26
  217 2.8 28
//