Dataset

(-)-Riboflavin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

This MassBank record with Accession MSBNK-RIKEN-PR100399 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 OCC(O)C(O)C(O)CN(c21)C(=N3)C(C(=O)NC(=O)3)=Nc(cc(C)c(C)c2)1
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR100399
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MetadataPublished 2016-01-19
Related Molecule
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    Measurement Variables
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    RBF rcsb_pdb
    CHEMBL1534 chembl
    29374783 surechembl
    7706 surechembl
    493570 pubchem
    TLM2976OFR fdasrs
    PD010207 probes_and_drugs
    XARWUM CCDC
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    229896 brenda
    31626 brenda
    351 brenda
    45447 brenda
    HMDB0000244 hmdb
    Molport-003-934-329 molport
    2834 drugcentral
    50362895 bindingdb
    The data in this table is sourced from UniChem at EBI.