MassBank Record: KO001612

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Phenyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001612
RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P033

CH$NAME: Phenyl phosphate
CH$NAME: Phenolic phosphate
CH$NAME: Phenylphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7O4P
CH$EXACT_MASS: 174.008199999999987994669936597347259521484375
CH$SMILES: c(c1)ccc(c1)OP(O)(O)=O
CH$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: COMPTOX DTXSID6044981
CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N
CH$LINK: KEGG C02734
CH$LINK: NIKKAJI J32.914B
CH$LINK: PUBCHEM SID:5695

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-5ad20d90b6714cc35dbf
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  74.700 34653.5 1
  78.100 153465.5 2
  79.000 99450594.5 999
  83.000 9901.0 1
  128.200 29703.0 1
  129.500 29703.0 1
//