Dataset

Inosine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81455 contains the MS mass spectrum of Inosine with the InChIkey UGQMRVRMYYASKQ-KQYNXXCUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
SMILES C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N
Molecular Formula C10H12N4O5
Exact Mass 268.081 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-BML81455
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:36.607427
MetadataModified 2024-01-11T22:27:36.794502
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4554 Guide to Pharmacology
J1.388I Nikkaji
MCULE-3095132846 Mcule
30095882 NMRShiftDB
SCHEMBL15804 SureChEMBL
PD008719 ProbesDrugs
5A614L51CT FDA SRS
DB04335 DrugBank
ins Recon
16072360 PubChem: Thomson Pharma
inosine Selleck
14799194 PubChem: Thomson Pharma
14947343 PubChem: Thomson Pharma
15197267 PubChem: Thomson Pharma
12712-98-0 ACToR
INOSINE clinicaltrials
HY-N0092 MedChemExpress
DTXSID2045993 EPA CompTox Dashboard
INOSINE rxnorm
3301 DrugCentral
SCHEMBL18653532 SureChEMBL
50366815 BindingDB
22104 BindingDB
INOSINE DailyMed
INOSIN CCDC
ZINC000008855117 ZINC
inosine DailyMed
135398641 PubChem
14774889 PubChem: Thomson Pharma
17596 Rhea
MTBLC17596 Metabolights
HMDB0000195 Human Metabolome Database
167 Brenda
CHEMBL1556 ChEMBL
C00294 KEGG Ligand
NOS PDBe
17596 ChEBI
29548306 eMolecules
522976 eMolecules
The data in this table is sourced from UniChem at EBI.