Dataset

Amisulpride

This MassBank record with Accession MSBNK-Athens_Univ-AU214203 contains the MS2 mass spectrum of Amisulpride with the InChIkey NTJOBXMMWNYJFB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
SMILES	CCN1CCCC1CNC(=O)C1=C(OC)C=C(N)C(=C1)S(=O)(=O)CC
InChI Key	NTJOBXMMWNYJFB-UHFFFAOYSA-N
Molecular Formula	C17H27N3O4S
Exact Mass	369.172 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU214203
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:41:25.770912
MetadataModified	2024-01-11T09:41:25.909877
MetadataPublished	2015-12-04

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB06288	DrugBank
CB7312326	ChemicalBook
HMDB0015633	Human Metabolome Database
64045	ChEBI
1985473	eMolecules
Amisulpride	Selleck
PA162565877	PharmGKB
71675-85-9	ACToR
LSM-1669	LINCS
PD001316	ProbesDrugs
2159	PubChem
14852985	PubChem: Thomson Pharma
MCULE-4239265090	Mcule
SCHEMBL34126	SureChEMBL
DTXSID5042613	EPA CompTox Dashboard
179	DrugCentral
AMISULPRIDE	clinicaltrials
SOLIAN	clinicaltrials
8110R61I4U	FDA SRS
HY-14545	MedChemExpress
J18.603A	Nikkaji
BARHEMSYS	clinicaltrials
DAN-2163	clinicaltrials
APD421	clinicaltrials
APD-421	clinicaltrials
AMISULPRIDE	rxnorm
AMISULPRIDE	DailyMed
BARHEMSYS	rxnorm
81790	BindingDB
12013930	PubChem: Drugs of the Future
CHEMBL243712	ChEMBL
SAM001246639	NIH Clinical Collection
963	Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.