MassBank Record: KO001615

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Pyridoxal 5-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: KO001615
RECORD_TITLE: Pyridoxal 5-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 P038

CH$NAME: Pyridoxal 5-phosphate
CH$NAME: Pyridoxal 5'-phosphate
CH$NAME: Pyridoxal phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10NO6P
CH$EXACT_MASS: 247.024570000000011305019143037497997283935546875
CH$SMILES: O=Cc(c(O)1)c(cnc(C)1)COP(O)(O)=O
CH$IUPAC: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
CH$LINK: CAS 54-47-7
CH$LINK: CHEBI 18405
CH$LINK: CHEMPDB PLP
CH$LINK: COMPTOX DTXSID4048351
CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N
CH$LINK: KEGG C00018
CH$LINK: NIKKAJI J10.690I
CH$LINK: PUBCHEM SID:3320

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 246
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-0090000000-9b86e80a9dd0de14ab59
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  46.100 54455.5 1
  59.000 39604.0 1
  79.000 772278.0 11
  89.100 9901.0 1
  96.900 3935647.5 55
  98.800 64356.5 1
  135.700 99010.0 1
  145.700 44554.5 1
  147.600 44554.5 1
  148.200 64356.5 1
  154.900 24752.5 1
  164.400 5762382.0 80
  186.400 89109.0 1
  209.900 54455.5 1
  213.200 113861.5 2
  218.500 262376.5 4
  228.400 1029704.0 14
  236.800 14851.5 1
  246.300 71950567.0 999
//