Dataset

Piroxicam

This MassBank record with Accession MSBNK-Waters-WA002541 contains the MS mass spectrum of Piroxicam with the InChIkey QYSPLQLAKJAUJT-UHFFFAOYSA-N.

InChI	InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
SMILES	c(c3)cnc(c3)NC(=O)C(=C(O)1)N(C)S(=O)(=O)c(c2)c(ccc2)1
InChI Key	QYSPLQLAKJAUJT-UHFFFAOYSA-N
Molecular Formula	C15H13N3O4S
Exact Mass	331.063 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002541
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:31:24.858748
MetadataModified	2025-02-09T20:20:54.548626
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
593185	eMolecules
J3.498C	Nikkaji
7273	Guide to Pharmacology
2210	DrugCentral
DTXSID5021170	EPA CompTox Dashboard
HY-B0253	MedChemExpress
PIROXICAM BETADEX	clinicaltrials
PIROXICAM	clinicaltrials
CP-16,171	clinicaltrials
CP-16171	clinicaltrials
FELDENE	clinicaltrials
FELDENE	rxnorm
PIROXICAM	DailyMed
PIROXICAM-BETA-CYCLODEXTRIN	rxnorm
PIROXICAM	rxnorm
85245	BindingDB
BIYSEH	CCDC
CHEMBL527	ChEMBL
8249	ChEBI
12013846	PubChem: Drugs of the Future
C01608	KEGG Ligand
HMDB0014694	Human Metabolome Database
piroxicam	DailyMed
CB1375282	ChemicalBook
MTBLC8249	Metabolights
4121	Brenda
ZINC000051133897	ZINC
SCHEMBL13462	SureChEMBL
MCULE-1939282084	Mcule
54676228	PubChem
PD001795	ProbesDrugs
BREXIDOL	clinicaltrials
DB00554	DrugBank
14924343	PubChem: Thomson Pharma
36322-90-4	ACToR
Piroxicam(Feldene)	Selleck
13T4O6VMAM	FDA SRS
The data in this table is sourced from UniChem at EBI.