Dataset

Allopurinol

This MassBank record with Accession MSBNK-Fiocruz-FIO00458 contains the MS2 mass spectrum of Allopurinol with the InChIkey OFCNXPDARWKPPY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
SMILES C1=NNC2=C1C(=O)NC=N2
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
Exact Mass 136.039 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-FIO00458
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:34:47.902419
MetadataModified 2024-01-11T16:34:48.094136
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1467 ChEMBL
SAM002554884 NIH Clinical Collection
DB00437 DrugBank
22395219 PubChem: Drugs of the Future
ALLOPURINOL DailyMed
35440 BindingDB
ZYLOPRIM rxnorm
ALLOPURINOL rxnorm
ALLOPURINOL SODIUM rxnorm
ALLOPURINOL clinicaltrials
ALLOPURINOL SODIUM clinicaltrials
LOPURIN clinicaltrials
ZYLOPRIM clinicaltrials
CB31081805 ChemicalBook
HY-B0219 MedChemExpress
DTXSID4022573 EPA CompTox Dashboard
181133 BindingDB
124 DrugCentral
6795 Guide to Pharmacology
J2.034F Nikkaji
ALOPUR CCDC
ALOPRIM rxnorm
40279 ChEBI
20025947 NMRShiftDB
MCULE-5186178136 Mcule
534646 eMolecules
1971755 eMolecules
32278112 eMolecules
832881 eMolecules
15146664 PubChem: Thomson Pharma
15119988 PubChem: Thomson Pharma
Allopurinol(Zyloprim) Selleck
PA448320 PharmGKB
SCHEMBL4627 SureChEMBL
180749-08-0 ACToR
184856-42-6 ACToR
LSM-5919 LINCS
63CZ7GJN5I FDA SRS
allopurinol Atlas
PD002486 ProbesDrugs
CB1181254 ChemicalBook
allopurinol DailyMed
135401907 PubChem
CB3587524 ChemicalBook
27677536 eMolecules
154362 Brenda
ZINC000013298313 ZINC
4335 Brenda
153379 Brenda
194408 Brenda
801 Brenda
HMDB0014581 Human Metabolome Database
50140241 BindingDB
The data in this table is sourced from UniChem at EBI.