ACCESSION: MSBNK-EPA-ENTACT_AGILENT001830
RECORD_TITLE: Tetraisopropyl methylenediphosphonate; ESI-QTOF; MS2; CE: 10; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 343.1444852191
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0009000000-d9f10bb913a3090f06e5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  62.964139 3.660748 36
  78.959054 1.460919 14
  132.034565 1.142817 11
  148.988032 1.254989 12
  156.94612 1.810775 18
  198.971941 1.176919 11
  198.99307 10.10499 100
  259.050585 5.759374 57
  281.034935 2.415841 24
  301.097535 41.1702 411
  343.144485 99.999998 999
//