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MassBank Record: KO003702

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: KO003702
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: 174.00820
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: KEGG C02734
CH$LINK: NIKKAJI J32.914B
CH$LINK: PUBCHEM SID:5695
CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044981

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

MS$FOCUSED_ION: PRECURSOR_M/Z 175
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00lr-3900000000-f84099310300fe9824f2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  55.300 54455.5 61
  57.200 79208.0 88
  69.200 39604.0 44
  70.300 14851.5 17
  72.800 29703.0 33
  77.100 188119.0 210
  83.000 49505.0 55
  84.200 74257.5 83
  86.000 108911.0 121
  88.100 217822.0 243
  97.800 34653.5 39
  101.900 138614.0 155
  117.200 158416.0 177
  118.200 544555.0 607
  118.600 44554.5 50
  121.200 14851.5 17
  130.200 237624.0 265
  131.000 896040.5 999
  158.000 89109.0 99
//

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