Dataset

Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS031708 contains the MS2 mass spectrum of Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous with the InChIkey PXQPEWDEAKTCGB-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
SMILES C1=C(NC(=O)NC1=O)C(=O)O
InChI Key PXQPEWDEAKTCGB-UHFFFAOYSA-N
Molecular Formula C5H4N2O4
Exact Mass 156.097 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-PS031708
Version
Author
Maintainer
Language
MetadataPublished 2009-02-09
Related Molecule
  • 2,4-dioxo-1H-pyrimidine-6-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02262 drugbank
    CHEBI:16742 chebi
    ORO rcsb_pdb
    CHEMBL1235017 chembl
    185887 surechembl
    20865 surechembl
    967 pubchem
    61H4T033E5 fdasrs
    4690 gtopdb
    PD001471 probes_and_drugs
    OROTAC CCDC
    12642 brenda
    163082 brenda
    446 brenda
    68893 brenda
    ORO pdbe
    HMDB0000226 hmdb
    DTXSID0025814 comptox
    NCT01620268 clinicaltrials
    FDB031072 foodb
    Molport-000-145-888 molport
    Molport-000-844-772 molport
    3402 drugcentral
    The data in this table is sourced from UniChem at EBI.