ACCESSION: MSBNK-EPA-ENTACT_AGILENT000771
RECORD_TITLE: Bis(2-ethylhexyl) phosphate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Bis(2-ethylhexyl) phosphate
CH$NAME: DTXSID1027134
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₅O₄P
CH$EXACT_MASS: 322.2272960957
CH$SMILES: CCCCC(COP(O)(=O)OCC(CCCC)CC)CC
CH$IUPAC: InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
CH$LINK: CAS 298-07-7
CH$LINK: INCHIKEY SEGLCEQVOFDUPX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9275

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 323.2345725474
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-c5de42e478a3007b122d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.054227 2.034888 20
  57.069877 18.447737 184
  62.963042 1.6316 16
  71.085527 16.313506 162
  80.973607 3.635256 36
  98.984172 100.000005 999
  99.022927 1.983822 19
  99.035813 1.125671 11
//