ACCESSION: MSBNK-EPA-ENTACT_AGILENT001702
RECORD_TITLE: Octylphosphonic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Octylphosphonic acid
CH$NAME: DTXSID3044679
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₉O₃P
CH$EXACT_MASS: 194.107180963
CH$SMILES: CCCCCCCCP(O)(O)=O
CH$IUPAC: InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)
CH$LINK: CAS 4724-48-5
CH$LINK: INCHIKEY NJGCRMAPOWGWMW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:78452

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 193.0999045113
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-1900000000-f047204f4829a85dae10
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  59.013853 1.112147 11
  78.959054 14.370333 143
  193.099905 99.999998 999
//