ACCESSION: MSBNK-EPA-ENTACT_AGILENT001957
RECORD_TITLE: Triethyl phosphonoacetate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0ul0-7900000000-18bd73a2fa7d122650f2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43.017841 13.765731 137
  46.968128 3.807055 38
  48.983778 1.441675 14
  62.963042 1.63579 16
  64.978692 21.319715 212
  76.978692 1.0613 10
  80.973607 58.360486 583
  81.009992 1.589005 15
  81.018235 1.020257 10
  90.994342 7.681072 76
  94.989257 16.300506 162
  104.973607 99.999999 999
  105.009992 3.370886 33
  105.033491 1.864302 18
  109.004907 3.173653 31
  122.984172 50.201165 501
  123.0288 1.217072 12
//