ACCESSION: MSBNK-EPA-ENTACT_AGILENT001831
RECORD_TITLE: Tetraisopropyl methylenediphosphonate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0002-0913000000-2ccfcf208de0ab3d9c00
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  62.964139 1.912846 19
  68.98996 1.236351 12
  78.959054 8.5807 85
  112.988032 1.553357 15
  136.021237 1.250238 12
  139.016569 2.464134 24
  156.94612 19.198004 191
  181.063519 10.430899 104
  182.925384 1.284419 12
  198.99307 100.000005 999
  199.044712 1.151433 11
  217.003635 1.254619 12
  241.04002 4.118218 41
  259.050585 22.537339 225
  301.097535 35.478182 354
  343.144485 12.460301 124
//