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MassBank Record: KO003700

Phenyl phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003700
RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0a4i-0900000000-4528fa033369efb85555
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  62.600 44554.5 4
  73.600 79208.0 7
  78.100 59406.0 5
  78.900 44554.5 4
  83.000 559406.5 50
  87.900 94059.5 8
  96.700 14851.5 1
  99.000 202970.5 18
  100.800 44554.5 4
  106.800 118812.0 11
  112.800 84158.5 8
  115.300 74257.5 7
  117.300 29703.0 3
  120.700 153465.5 14
  122.100 158416.0 14
  125.800 34653.5 3
  129.500 34653.5 3
  130.200 84158.5 8
  130.800 173267.5 16
  140.300 49505.0 4
  143.000 212871.5 19
  156.900 509901.5 46
  158.000 11074268.5 999
  175.100 5004955.5 451
//

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