ACCESSION: MSBNK-EPA-ENTACT_AGILENT001958
RECORD_TITLE: Triethyl phosphonoacetate; ESI-QTOF; MS2; CE: 10; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 225.0886365955
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0fi0-0900000000-d9a0c20ae284b0ca0e31
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  80.973607 2.372212 23
  104.973607 3.338568 33
  109.004907 8.296843 82
  122.984172 100.000002 999
  123.0288 2.849336 28
  123.044056 1.85603 18
  137.036207 2.336926 23
  140.994736 9.120427 91
  151.015472 82.089814 820
  151.0601 2.447159 24
  169.026036 63.129769 630
  179.046772 87.463544 873
  179.0914 2.331795 23
  197.057336 56.561077 565
  225.088637 44.782387 447
//
