Dataset

RIBOFLAVIN

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 Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:34.850831
MetadataModified 2025-02-08T18:44:31.368925
MetadataPublished 2021-12-14
Related Molecule
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.