Dataset

RIBOFLAVIN

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 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103704_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:51.852652
MetadataModified 2024-01-11T09:31:52.142957
MetadataPublished 2021-12-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
711592 eMolecules
riboflavin DailyMed
CB4383318 ChemicalBook
HMDB0000244 Human Metabolome Database
31626 Brenda
MTBLC17015 Metabolights
351 Brenda
PA451242 PharmGKB
RIBOFLAVIN rxnorm
2834 DrugCentral
DTXSID8021777 EPA CompTox Dashboard
50362895 BindingDB
RIBOFLAVIN DailyMed
RIBOFLAVIN TETRABUTYRATE rxnorm
ZINC000002036848 ZINC
RIBOFLAVIN clinicaltrials
HY-B0456 MedChemExpress
6578 Guide to Pharmacology
MCULE-5620064525 Mcule
SCHEMBL7706 SureChEMBL
30095494 NMRShiftDB
J3.876H Nikkaji
XARWUM CCDC
229895 Brenda
229896 Brenda
493570 PubChem
PD010207 ProbesDrugs
TLM2976OFR FDA SRS
14829102 PubChem: Thomson Pharma
ribflv Recon
Riboflavin-Vitamin-B2 Selleck
LSM-4084 LINCS
DB00140 DrugBank
17015 ChEBI
24714797 PubChem: Drugs of the Future
C00255 KEGG Ligand
RBF PDBe
CHEMBL1534 ChEMBL
The data in this table is sourced from UniChem at EBI.