ACCESSION: MSBNK-EPA-ENTACT_AGILENT000134
RECORD_TITLE: 3-(Dimethylphosphono)-N-methylolpropionamide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4i-9600000000-9a1f50de015ced84c2ee
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27.022927 1.082478 10
  45.033491 11.44278 114
  46.968128 1.024313 10
  55.017841 57.448747 573
  55.054537 1.267202 12
  58.065126 1.240381 12
  62.999428 6.532398 65
  70.065126 1.38164 13
  77.038887 1.523351 15
  78.994342 41.025693 409
  79.017841 1.421297 14
  87.044056 2.435875 24
  93.009992 11.171128 111
  94.065126 1.394736 13
  94.989257 3.121672 31
  109.004907 100.000001 999
  109.041292 1.627043 16
  118.02606 1.069854 10
//