ACCESSION: MSBNK-EPA-ENTACT_AGILENT000228
RECORD_TITLE: Diethyl ethoxymethylenemalonate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-014i-9800000000-c5e6c3e68aff20a4a0aa
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  47.049141 1.110081 11
  68.997106 74.032905 739
  69.033491 1.695669 16
  96.99202 66.682385 666
  97.028406 1.423057 14
  115.002585 100 999
  115.038971 2.213117 22
  115.054227 1.313275 13
  143.033885 23.752839 237
  171.065185 3.791811 37
//