ACCESSION: MSBNK-EPA-ENTACT_AGILENT001959
RECORD_TITLE: Triethyl phosphonoacetate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Triethyl phosphonoacetate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₇O₅P
CH$EXACT_MASS: 224.0813601438
CH$SMILES: CCOC(=O)CP(=O)(OCC)OCC
CH$IUPAC: InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
CH$LINK: CAS 867-13-0
CH$LINK: INCHIKEY GGUBFICZYGKNTD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13345

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$FOCUSED_ION: PRECURSOR_M/Z 225.0886365955
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0900000000-faaecac9993062ec04b8
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  80.973607 3.39453 33
  90.994342 1.027021 10
  94.989257 1.221211 12
  104.973607 6.273969 62
  109.004907 8.41835 84
  122.984172 99.999997 999
  123.0288 4.194917 41
  123.044056 2.702971 27
  123.056943 1.122028 11
  140.994736 1.885046 18
  151.015472 11.308626 112
  169.026036 3.058926 30
  179.046772 1.634756 16
//