ACCESSION: MSBNK-EPA-ENTACT_AGILENT001848
RECORD_TITLE: 4-Ethoxy-4-oxobut-2-enoic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Ethoxy-4-oxobut-2-enoic acid
CH$NAME: DTXSID1044485
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈O₄
CH$EXACT_MASS: 144.0422587444
CH$SMILES: CCOC(=O)/C=C/C(O)=O
CH$IUPAC: InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
CH$LINK: CAS 3249-53-4
CH$LINK: INCHIKEY XLYMOEINVGRTEX-ONEGZZNKSA-N
CH$LINK: PUBCHEM CID:41331

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 143.0349822927
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-ea5d4bb24a0db2398b26
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41.003288 2.18037 21
  43.018938 27.326786 272
  45.034588 45.166259 451
  53.039674 1.320973 13
  55.018938 9.467186 94
  57.034588 2.323805 23
  59.013853 2.309149 23
  69.034588 7.877798 78
  71.013853 47.253919 472
  71.050238 17.123875 171
  81.034588 4.53012 45
  84.021678 16.414122 163
  97.029503 1.093108 10
  99.045153 100.000001 999
  143.034982 14.169574 141
//