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
HMDB0015538	Human Metabolome Database
MolPort-006-126-627	MolPort
PA164764503	PharmGKB
CB4875253	ChemicalBook
223313	BindingDB
5468	PubChem
15197037	PubChem: Thomson Pharma
SCHEMBL25639	SureChEMBL
LSM-1769	LINCS
33005-95-7	ACToR
PD009458	ProbesDrugs
1LS1T6R34C	FDA SRS
HY-106579	MedChemExpress
SURGAM	clinicaltrials
RU-15060	clinicaltrials
TIAPROFENIC ACID	clinicaltrials
TIAPROFENIC ACID	rxnorm
TIAPROFENATE	rxnorm
2652	DrugCentral
DTXSID5023665	EPA CompTox Dashboard
32221	ChEBI
J3.176C	Nikkaji
The data in this table is sourced from UniChem at EBI.