ACCESSION: MSBNK-EPA-ENTACT_AGILENT001829
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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$SPLASH: splash10-02di-0692000000-1512066c57d7734bc918
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  98.984172 1.044342 10
  158.960673 2.668706 26
  176.971237 99.999994 999
  177.022879 5.038997 50
  177.039364 3.004069 30
  177.054621 1.24049 12
  219.018188 78.090171 780
  219.069829 3.569524 35
  219.093328 2.073442 20
  261.065138 64.150519 640
  261.125022 2.985382 29
  261.153165 1.651757 16
  303.112088 35.739638 357
  345.159038 10.270607 102
//