ACCESSION: MSBNK-EPA-ENTACT_AGILENT000480
RECORD_TITLE: Diethyl (N,N-bis(2-hydroxyethyl)amino)methanephosphonate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diethyl (N,N-bis(2-hydroxyethyl)amino)methanephosphonate
CH$NAME: DTXSID2029242
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₂NO₅P
CH$EXACT_MASS: 255.1235593107
CH$SMILES: CCOP(=O)(CN(CCO)CCO)OCC
CH$IUPAC: InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3
CH$LINK: CAS 2781-11-5
CH$LINK: INCHIKEY CCJKFLLIJCGHMO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17722

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$FOCUSED_ION: PRECURSOR_M/Z 256.1308357624
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-1900000000-c677f69ebd416205b796
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  45.033491 4.058088 40
  56.049476 2.58546 25
  74.06004 5.679094 56
  88.07569 1.353262 13
  89.059706 1.248781 12
  102.09134 3.313729 33
  118.086255 100.000002 999
  118.122641 2.143955 21
//