ACCESSION: MSBNK-EPA-ENTACT_AGILENT000135
RECORD_TITLE: 3-(Dimethylphosphono)-N-methylolpropionamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-(Dimethylphosphono)-N-methylolpropionamide
CH$NAME: DTXSID9040215
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄NO₅P
CH$EXACT_MASS: 211.0609590555
CH$SMILES: COP(=O)(CCC(=O)NCO)OC
CH$IUPAC: InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
CH$LINK: CAS 20120-33-6
CH$LINK: INCHIKEY MCONGYNHPPCHSD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:29959

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$FOCUSED_ION: PRECURSOR_M/Z 212.0682355072
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0aor-2900000000-adf2354b293e839c9299
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  45.033491 20.322315 203
  55.017841 5.960509 59
  74.023655 1.035702 10
  78.994342 1.494723 14
  87.044056 7.480572 74
  89.060017 11.132056 111
  93.009992 7.018044 70
  107.025642 2.260939 22
  109.004907 99.999998 999
  109.041292 1.917489 19
  127.015472 1.503452 15
  137.036207 19.973413 199
  165.031122 80.376185 802
  165.07575 1.068864 10
//