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MassBank Record: MSBNK-RIKEN_ReSpect-PT204910

Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT204910
RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Pidopidon
CH$NAME: Pyridoxal-5P
CH$NAME: PLP
CH$NAME: Pyridoxal-5'-phosphate hydrate
CH$NAME: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
CH$NAME: Codecarboxylase
CH$NAME: 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde
CH$NAME: Hairoxal
CH$NAME: Pyridoxal 5-phosphate
CH$NAME: Pyromijin
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C8H10NO6P
CH$EXACT_MASS: 247.145
CH$SMILES: CC1=NC=C(C(=C1O)C=O)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: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 246.01677

PK$SPLASH: splash10-002b-9000000000-2c4e243699a95e3a0f88
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9597 246.5 709
  96.9695 347.4 999
  246.0168 46.08 133
//

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