Dataset

RIBOFLAVIN; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103704_EF88 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_EF88
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MetadataPublished 2021-12-14
Related Molecule
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  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00140 drugbank
    CHEBI:17015 chebi
    RBF rcsb_pdb
    CHEMBL1534 chembl
    29374783 surechembl
    7706 surechembl
    493570 pubchem
    TLM2976OFR fdasrs
    PD010207 probes_and_drugs
    XARWUM CCDC
    229895 brenda
    229896 brenda
    31626 brenda
    351 brenda
    45447 brenda
    HMDB0000244 hmdb
    50714574 bindingdb
    50714575 bindingdb
    50714576 bindingdb
    50714577 bindingdb
    50714579 bindingdb
    51284591 bindingdb
    51284619 bindingdb
    51284684 bindingdb
    51284704 bindingdb
    51284768 bindingdb
    51573225 bindingdb
    Molport-003-934-329 molport
    2834 drugcentral
    The data in this table is sourced from UniChem at EBI.