ACCESSION: MSBNK-EPA-ENTACT_AGILENT000226
RECORD_TITLE: Diethyl ethoxymethylenemalonate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diethyl ethoxymethylenemalonate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₅
CH$EXACT_MASS: 216.0997736219
CH$SMILES: CCOC=C(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3
CH$LINK: CAS 87-13-8
CH$LINK: INCHIKEY LTMHNWPUDSTBKD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6871

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 217.1070500736
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-9000000000-444c1fcea4a371600780
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.002191 2.220527 22
  68.997106 99.999997 999
  69.033491 3.090035 30
  96.99202 3.407193 34
//