ACCESSION: MSBNK-EPA-ENTACT_AGILENT001834
RECORD_TITLE: Tetraisopropyl methylenediphosphonate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tetraisopropyl methylenediphosphonate
CH$NAME: DTXSID7044847
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₃₀O₆P₂
CH$EXACT_MASS: 344.1517616708
CH$SMILES: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
CH$IUPAC: InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
CH$LINK: CAS 1660-95-3
CH$LINK: INCHIKEY ODTQUKVFOLFLIQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:74266

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$FOCUSED_ION: PRECURSOR_M/Z 345.1590381225
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a6r-1900000000-25baaa8286e06c3d9f3e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  78.994342 1.348483 13
  80.973607 1.09237 10
  97.004907 1.939548 19
  98.984172 33.901837 338
  140.950108 3.461779 34
  158.960673 100.000003 999
  159.00767 3.162617 31
  159.0288 1.925449 19
  176.971237 79.320296 792
  177.022879 2.058597 20
  177.039364 1.281802 12
//