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MassBank Record: KO003701

Phenyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003701
RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-053r-1900000000-0c431114e864fde60cdb
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  62.600 74257.5 40
  71.800 14851.5 8
  73.800 113861.5 62
  77.000 69307.0 38
  80.900 79208.0 43
  82.300 24752.5 13
  83.200 148515.0 81
  84.900 39604.0 21
  88.100 356436.0 193
  96.400 44554.5 24
  96.800 19802.0 11
  102.300 158416.0 86
  112.400 29703.0 16
  115.300 29703.0 16
  117.000 49505.0 27
  118.300 64356.5 35
  121.800 173267.5 94
  128.600 44554.5 24
  129.900 529703.5 287
  130.900 1841586.0 999
  133.300 34653.5 19
  139.900 59406.0 32
  156.900 94059.5 51
  157.900 1529704.5 830
  175.300 188119.0 102
//

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