ACCESSION: MSBNK-EPA-ENTACT_AGILENT001849
RECORD_TITLE: 4-Ethoxy-4-oxobut-2-enoic acid; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-a118151507fd9b7b02cb
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.003288 9.031611 90
  43.018938 100.000001 999
  43.055324 1.423836 14
  45.034588 36.55318 365
  59.013853 2.302797 23
  71.013853 5.34844 53
//