Dataset

Riboflavin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00066 contains the MS2 mass spectrum of Riboflavin with the InChIkey AUNGANRZJHBGPY-UHFFFAOYSA-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)
SMILES CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
InChI Key AUNGANRZJHBGPY-UHFFFAOYSA-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-Washington_State_Univ-BML00066
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:10.271746
MetadataModified 2024-01-11T22:24:10.468237
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14804331 PubChem: Thomson Pharma
1072 PubChem
SCHEMBL341564 SureChEMBL
13123-37-0 ACToR
PD055533 ProbesDrugs
J1.920.223B Nikkaji
HMDB0247501 Human Metabolome Database
10008589 NMRShiftDB
MCULE-6002277168 Mcule
QQQAVY CCDC
27198 Brenda
CHEMBL511565 ChEMBL
27678625 eMolecules
594077 eMolecules
The data in this table is sourced from UniChem at EBI.