Dataset

Sulpiride

This MassBank record with Accession MSBNK-Athens_Univ-AU168503 contains the MS2 mass spectrum of Sulpiride with the InChIkey BGRJTUBHPOOWDU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
SMILES CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O
InChI Key BGRJTUBHPOOWDU-UHFFFAOYSA-N
Molecular Formula C15H23N3O4S
Exact Mass 341.141 g/mol

Data and Resources

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-AU168503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:57:53.241191
MetadataModified 2025-02-08T19:01:47.073312
MetadataPublished 2015-12-07
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL26 ChEMBL
DB00391 DrugBank
SULPIRIDE rxnorm
DTXSID1042574 EPA CompTox Dashboard
2537 DrugCentral
NEOGAMA clinicaltrials
GUASTIL clinicaltrials
PYMSBZ CCDC
DOGMATIL clinicaltrials
5501 Guide to Pharmacology
ABILIT clinicaltrials
MERESA clinicaltrials
AIGLONYL clinicaltrials
SULPIRIDE clinicaltrials
HY-B1019 MedChemExpress
7MNE9M8287 FDA SRS
SULPITIL clinicaltrials
11638 BindingDB
J3.446K Nikkaji
DOLMATIL clinicaltrials
SULPOR clinicaltrials
20037386 NMRShiftDB
75628 Brenda
3567 Brenda
CB4141314 ChemicalBook
HMDB0014535 Human Metabolome Database
SCHEMBL8421 SureChEMBL
MCULE-7506797476 Mcule
5355 PubChem
14802423 PubChem: Thomson Pharma
PD001493 ProbesDrugs
32168 ChEBI
PA164745485 PharmGKB
LSM-5080 LINCS
15676-16-1 ACToR
sulpiride Atlas
594468 eMolecules
The data in this table is sourced from UniChem at EBI.