MassBank Record: MSBNK-EPA-ENTACT_AGILENT002060

Phenyl dihydrogen phosphate; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002060
RECORD_TITLE: Phenyl dihydrogen phosphate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Phenyl dihydrogen phosphate
CH$NAME: DTXSID6044981
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇O₄P
CH$EXACT_MASS: 174.0081952025
CH$SMILES: OP(O)(=O)OC1C=CC=CC=1
CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
CH$LINK: CAS 701-64-4
CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12793

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 173.0009187508
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-9000000000-dac5524bf6289423caa7
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.959054 99.999997 999
  78.995439 2.492517 24
  79.003682 1.388428 13
//