Dataset

Inosine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81456 contains the MS mass spectrum of Inosine with the InChIkey UGQMRVRMYYASKQ-KQYNXXCUSA-N.

Chemical Info

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

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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-BML81456
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:20:50.693052
MetadataModified	2025-02-09T20:11:06.957888
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
30095882	NMRShiftDB
MCULE-3095132846	Mcule
SCHEMBL15804	SureChEMBL
ZINC000008855117	ZINC
17596	Rhea
inosine	DailyMed
167	Brenda
HMDB0000195	Human Metabolome Database
MTBLC17596	Metabolights
29548306	eMolecules
522976	eMolecules
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
NOS	PDBe
C00294	KEGG Ligand
17596	ChEBI
CHEMBL1556	ChEMBL
DTXSID2045993	EPA CompTox Dashboard
3301	DrugCentral
SCHEMBL18653532	SureChEMBL
4554	Guide to Pharmacology
J1.388I	Nikkaji
INOSIN	CCDC
22104	BindingDB
50366815	BindingDB
INOSINE	rxnorm
INOSINE	DailyMed
HY-N0092	MedChemExpress
INOSINE	clinicaltrials
135398641	PubChem
14774889	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.