Dataset

Xanthosine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82350 contains the MS mass spectrum of Xanthosine with the InChIkey UBORTCNDUKBEOP-UUOKFMHZSA-N.

Chemical Info

InChI	InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
SMILES	C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
InChI Key	UBORTCNDUKBEOP-UUOKFMHZSA-N
Molecular Formula	C10H12N4O6
Exact Mass	284.076 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-BML82350
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:13.141210
MetadataModified	2024-01-11T22:27:13.322702
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60020713	NMRShiftDB
PD088061	ProbesDrugs
BM66HT53C3	FDA SRS
xtsn	Recon
14873129	PubChem: Thomson Pharma
17435634	PubChem: Thomson Pharma
15222379	PubChem: Thomson Pharma
24419762	PubChem: Thomson Pharma
MCULE-2792950872	Mcule
64959	PubChem
CUTVAO	CCDC
SCHEMBL133792	SureChEMBL
112872	Brenda
J9.367J	Nikkaji
18107	Rhea
HMDB0000299	Human Metabolome Database
1222	Brenda
MTBLC18107	Metabolights
ZINC000001561970	ZINC
HY-W011527	MedChemExpress
4UO	PDBe
C01762	KEGG Ligand
CHEMBL402439	ChEMBL
18107	ChEBI
30157342	eMolecules
The data in this table is sourced from UniChem at EBI.