Dataset

Tiaprofenic acid

This MassBank record with Accession MSBNK-Waters-WA001526 contains the MS mass spectrum of Tiaprofenic acid with the InChIkey GUHPRPJDBZHYCJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
SMILES	OC(=O)C(C)c(c2)sc(c2)C(=O)c(c1)cccc1
InChI Key	GUHPRPJDBZHYCJ-UHFFFAOYSA-N
Molecular Formula	C14H12O3S
Exact Mass	260.051 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-Waters-WA001526
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:52.439248
MetadataModified	2024-01-11T22:49:52.599995
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01600	DrugBank
CHEMBL365795	ChEMBL
36553049	eMolecules
TIAPROFENIC ACID	rxnorm
TIAPROFENATE	rxnorm
TIAPROFENIC ACID	clinicaltrials
2652	DrugCentral
SURGAM	clinicaltrials
HY-106579	MedChemExpress
1LS1T6R34C	FDA SRS
DTXSID5023665	EPA CompTox Dashboard
RU-15060	clinicaltrials
HMDB0015538	Human Metabolome Database
223313	BindingDB
PA164764503	PharmGKB
CB4875253	ChemicalBook
33005-95-7	ACToR
5468	PubChem
LSM-1769	LINCS
15197037	PubChem: Thomson Pharma
SCHEMBL25639	SureChEMBL
PD009458	ProbesDrugs
J3.176C	Nikkaji
32221	ChEBI
The data in this table is sourced from UniChem at EBI.