Dataset

Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS049101 contains the MS2 mass spectrum of Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin with the InChIkey NGVDGCNFYWLIFO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI 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)
SMILES CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O
InChI Key NGVDGCNFYWLIFO-UHFFFAOYSA-N
Molecular Formula C8H10NO6P
Exact Mass 247.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS049101
Version
Author
Maintainer
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MetadataPublished 2009-02-09
Related Molecule
  • (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00114 DrugBank
    C00018 KEGG Ligand
    CHEMBL82202 ChEMBL
    18405 ChEBI
    PLP PDBe
    50118216 BindingDB
    PYRIDOXAL PHOSPHATE rxnorm
    PYRIDOXAL PHOSPHATE ANHYDROUS rxnorm
    J10.690I Nikkaji
    PYRIDOXAL PHOSPHATE clinicaltrials
    5249 Guide to Pharmacology
    PYRIDOXAL 5-PHOSPHATE clinicaltrials
    ZINC000001532514 ZINC
    3506 DrugCentral
    DTXSID4048351 EPA CompTox Dashboard
    MCULE-8936350631 Mcule
    HY-B1744 MedChemExpress
    PYRIDOXAL PHOSPHATE DailyMed
    1051 PubChem
    60021021 NMRShiftDB
    PD008883 ProbesDrugs
    CB48047867 ChemicalBook
    14847611 PubChem: Thomson Pharma
    52064-48-9 ACToR
    54-47-7 ACToR
    F06SGE49M6 FDA SRS
    1988700 eMolecules
    1564 Brenda
    53888 Brenda
    51895 Brenda
    4558 Brenda
    32 Brenda
    13475 Brenda
    16014 Brenda
    122928 Brenda
    HMDB0001491 Human Metabolome Database
    CB22131140 ChemicalBook
    CB0257385 ChemicalBook
    MTBLC18405 Metabolights
    PA164749650 PharmGKB
    SCHEMBL23158 SureChEMBL
    The data in this table is sourced from UniChem at EBI.