Dataset

RIBOFLAVIN; LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103704_FB57 contains the MS2 mass spectrum of RIBOFLAVIN with the InChIkey AUNGANRZJHBGPY-SCRDCRAPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
SMILES CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
InChI Key AUNGANRZJHBGPY-SCRDCRAPSA-N
Molecular Formula C17H20N4O6
Exact Mass 376.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103704_FB57
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MetadataPublished 2021-12-14
Related Molecule
  • 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB4383318 ChemicalBook
    MTBLC17015 Metabolights
    PA451242 PharmGKB
    351 Brenda
    31626 Brenda
    HMDB0000244 Human Metabolome Database
    riboflavin DailyMed
    30095494 NMRShiftDB
    MCULE-5620064525 Mcule
    SCHEMBL7706 SureChEMBL
    493570 PubChem
    PD010207 ProbesDrugs
    TLM2976OFR FDA SRS
    14829102 PubChem: Thomson Pharma
    ribflv Recon
    Riboflavin-Vitamin-B2 Selleck
    LSM-4084 LINCS
    711592 eMolecules
    DTXSID8021777 EPA CompTox Dashboard
    J3.876H Nikkaji
    2834 DrugCentral
    6578 Guide to Pharmacology
    ZINC000002036848 ZINC
    RIBOFLAVIN DailyMed
    229895 Brenda
    XARWUM CCDC
    HY-B0456 MedChemExpress
    50362895 BindingDB
    RIBOFLAVIN clinicaltrials
    229896 Brenda
    RIBOFLAVIN TETRABUTYRATE rxnorm
    RIBOFLAVIN rxnorm
    17015 ChEBI
    RBF PDBe
    CHEMBL1534 ChEMBL
    DB00140 DrugBank
    24714797 PubChem: Drugs of the Future
    C00255 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.