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 2025-02-09T13:01:11.556216
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
SCHEMBL731 SureChEMBL
CB7304660 ChemicalBook
adenosine DailyMed
16335 Rhea
99843 Brenda
HMDB0000050 Human Metabolome Database
122 Brenda
PA448049 PharmGKB
MTBLC16335 Metabolights
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
474947 eMolecules
DB00640 DrugBank
C00212 KEGG Ligand
16335 ChEBI
ADN PDBe
81044335 PubChem: Drugs of the Future
HY-B0228 MedChemExpress
2844 Guide to Pharmacology
ADENOCARD clinicaltrials
J4.501B Nikkaji
14487 BindingDB
ZINC000002169830 ZINC
DTXSID1022558 EPA CompTox Dashboard
90 DrugCentral
ADENOSINE rxnorm
ADENOSCAN clinicaltrials
ADENOSINE clinicaltrials
ADENOS CCDC
ADENOCARD rxnorm
ADENOSINE DailyMed
ADENOSCAN rxnorm
K72T3FS567 FDA SRS
CHEMBL477 ChEMBL
The data in this table is sourced from UniChem at EBI.