ACCESSION: MSBNK-EPA-ENTACT_AGILENT000111
RECORD_TITLE: Diisopropyl methylphosphonate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diisopropyl methylphosphonate
CH$NAME: DTXSID5024051
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₇O₃P
CH$EXACT_MASS: 180.0915308992
CH$SMILES: CP(=O)(OC(C)C)OC(C)C
CH$IUPAC: InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
CH$LINK: CAS 1445-75-6
CH$LINK: INCHIKEY WOAFDHWYKSOANX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3073

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$FOCUSED_ION: PRECURSOR_M/Z 181.0988073509
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-659f60ace7209bfd5568
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.038577 1.15257 11
  46.968128 14.90068 148
  78.994342 99.999999 999
  79.030728 2.292915 22
  79.038971 1.13635 11
  97.004907 12.014436 120
//