Dataset

Adenosine

This MassBank record with Accession MSBNK-Fiocruz-FIO00683 contains the MS2 mass spectrum of Adenosine with the InChIkey OIRDTQYFTABQOQ-KQYNXXCUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
InChI Key OIRDTQYFTABQOQ-KQYNXXCUSA-N
Molecular Formula C10H13N5O4
Exact Mass 267.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00683
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:35:56.686207
MetadataModified 2024-01-11T16:35:56.846570
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-6268373280 Mcule
MCULE-7071766082 Mcule
60961 PubChem
474947 eMolecules
60018497 NMRShiftDB
PD002487 ProbesDrugs
LSM-28568 LINCS
adn Recon
30143-02-3 ACToR
14799162 PubChem: Thomson Pharma
Adenosine(Adenocard) Selleck
14774851 PubChem: Thomson Pharma
46946-45-6 ACToR
16335 Rhea
CB7304660 ChemicalBook
adenosine DailyMed
CHEMBL477 ChEMBL
K72T3FS567 FDA SRS
MTBLC16335 Metabolights
PA448049 PharmGKB
122 Brenda
99843 Brenda
HMDB0000050 Human Metabolome Database
DB00640 DrugBank
C00212 KEGG Ligand
16335 ChEBI
ADN PDBe
81044335 PubChem: Drugs of the Future
ADENOSINE DailyMed
14487 BindingDB
ADENOSCAN rxnorm
ADENOCARD rxnorm
ADENOSINE clinicaltrials
ADENOSCAN clinicaltrials
ADENOCARD clinicaltrials
HY-B0228 MedChemExpress
DTXSID1022558 EPA CompTox Dashboard
90 DrugCentral
ZINC000002169830 ZINC
SCHEMBL731 SureChEMBL
2844 Guide to Pharmacology
J4.501B Nikkaji
ADENOS CCDC
ADENOSINE rxnorm
The data in this table is sourced from UniChem at EBI.