ACCESSION: MSBNK-EPA-ENTACT_AGILENT000859
RECORD_TITLE: 2-Ethylhexyl dihydrogen phosphate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Ethylhexyl dihydrogen phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₉O₄P
CH$EXACT_MASS: 210.1020955853
CH$SMILES: CCCCC(COP(O)(O)=O)CC
CH$IUPAC: InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
CH$LINK: CAS 1070-03-7
CH$LINK: INCHIKEY LJKDOMVGKKPJBH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14050

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$FOCUSED_ION: PRECURSOR_M/Z 209.0948191336
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-1196dae610a4e0fd5132
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.959054 100.000002 999
  78.995439 2.459865 24
  79.003682 1.456217 14
  96.969619 1.018477 10
//