ACCESSION: MSBNK-EPA-ENTACT_AGILENT000758
RECORD_TITLE: Diphenyl phosphate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diphenyl phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁O₄P
CH$EXACT_MASS: 250.0394953301
CH$SMILES: OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
CH$LINK: CAS 838-85-7
CH$LINK: INCHIKEY ASMQGLCHMVWBQR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13282

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 249.0322188784
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-ee394f12ddd2a773ad25
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  65.0396737397 2.26509 22
  78.9590539371 5.515088 55
  93.034588362 100 999
//