Dataset

Piroxicam

This MassBank record with Accession MSBNK-Waters-WA002538 contains the MS mass spectrum of Piroxicam with the InChIkey QYSPLQLAKJAUJT-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002538
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:14.480207
MetadataModified 2024-01-11T22:50:14.659025
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB1375282 ChemicalBook
piroxicam DailyMed
HMDB0014694 Human Metabolome Database
4121 Brenda
ZINC000051133897 ZINC
MTBLC8249 Metabolights
593185 eMolecules
2210 DrugCentral
DTXSID5021170 EPA CompTox Dashboard
HY-B0253 MedChemExpress
CP-16,171 clinicaltrials
FELDENE clinicaltrials
PIROXICAM BETADEX clinicaltrials
PIROXICAM clinicaltrials
CP-16171 clinicaltrials
FELDENE rxnorm
PIROXICAM rxnorm
PIROXICAM-BETA-CYCLODEXTRIN rxnorm
PIROXICAM DailyMed
85245 BindingDB
MCULE-1939282084 Mcule
7273 Guide to Pharmacology
J3.498C Nikkaji
SCHEMBL13462 SureChEMBL
BIYSEH CCDC
54676228 PubChem
PD001795 ProbesDrugs
BREXIDOL clinicaltrials
DB00554 DrugBank
14924343 PubChem: Thomson Pharma
36322-90-4 ACToR
Piroxicam(Feldene) Selleck
13T4O6VMAM FDA SRS
8249 ChEBI
12013846 PubChem: Drugs of the Future
C01608 KEGG Ligand
CHEMBL527 ChEMBL
The data in this table is sourced from UniChem at EBI.