Dataset

Adenosine

This MassBank record with Accession MSBNK-Fiocruz-FIO00684 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-FIO00684
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:39:26.740619
MetadataModified 2024-01-11T16:39:26.908535
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60961 PubChem
MCULE-7071766082 Mcule
J4.501B Nikkaji
MCULE-6268373280 Mcule
2844 Guide to Pharmacology
SCHEMBL731 SureChEMBL
ADENOS CCDC
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
99843 Brenda
122 Brenda
PA448049 PharmGKB
MTBLC16335 Metabolights
CHEMBL477 ChEMBL
adenosine DailyMed
CB7304660 ChemicalBook
HMDB0000050 Human Metabolome Database
16335 Rhea
K72T3FS567 FDA SRS
ADENOSINE clinicaltrials
ADENOSINE DailyMed
ADENOSCAN clinicaltrials
ADENOCARD clinicaltrials
HY-B0228 MedChemExpress
DTXSID1022558 EPA CompTox Dashboard
ADENOCARD rxnorm
ADENOSCAN rxnorm
ADENOSINE rxnorm
14487 BindingDB
90 DrugCentral
ZINC000002169830 ZINC
DB00640 DrugBank
C00212 KEGG Ligand
16335 ChEBI
ADN PDBe
81044335 PubChem: Drugs of the Future
474947 eMolecules
The data in this table is sourced from UniChem at EBI.