Dataset

Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol, 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT210100 contains the MS2 mass spectrum of Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol, 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione with the InChIkey HXNFUBHNUDHIGC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
SMILES	C1=C2C(=NC(=O)NC2=O)NN1
InChI Key	HXNFUBHNUDHIGC-UHFFFAOYSA-N
Molecular Formula	C5H4N4O2
Exact Mass	152.113 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT210100
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:11:43.111598
MetadataModified	2025-02-09T19:06:39.274269
MetadataPublished	2008-07-29

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C07599	KEGG Ligand
CHEMBL859	ChEMBL
28315	ChEBI
OXYPURINOL	clinicaltrials
OXIPURINOL	clinicaltrials
HY-19657	MedChemExpress
50423777	BindingDB
J9.510I	Nikkaji
DTXSID4035209	EPA CompTox Dashboard
CB4709190	ChemicalBook
135398752	PubChem
60027638	NMRShiftDB
PD008633	ProbesDrugs
G97OZE5068	FDA SRS
15194749	PubChem: Thomson Pharma
SCHEMBL39154	SureChEMBL
2465-59-0	ACToR
15194748	PubChem: Thomson Pharma
DB05262	DrugBank
593027	eMolecules
24870668	eMolecules
883894	eMolecules
LSM-45232	LINCS
HMDB0000786	Human Metabolome Database
51104	Brenda
91605	Brenda
16615	Brenda
6865	Brenda
44640	Brenda
37694	Brenda
44638	Brenda
MTBLC28315	Metabolights
ZINC000084462581	ZINC
141	PDBe
MCULE-9305301152	Mcule
The data in this table is sourced from UniChem at EBI.