Dataset

Sulpiride

This MassBank record with Accession MSBNK-Athens_Univ-AU168502 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-AU168502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:17.028164
MetadataModified 2024-01-11T09:49:17.166969
MetadataPublished 2015-12-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PYMSBZ CCDC
SULPIRIDE rxnorm
J3.446K Nikkaji
5501 Guide to Pharmacology
7MNE9M8287 FDA SRS
HY-B1019 MedChemExpress
SULPOR clinicaltrials
SULPITIL clinicaltrials
SULPIRIDE clinicaltrials
AIGLONYL clinicaltrials
MERESA clinicaltrials
ABILIT clinicaltrials
NEOGAMA clinicaltrials
DOGMATIL clinicaltrials
DOLMATIL clinicaltrials
GUASTIL clinicaltrials
11638 BindingDB
2537 DrugCentral
DTXSID1042574 EPA CompTox Dashboard
CHEMBL26 ChEMBL
DB00391 DrugBank
CB4141314 ChemicalBook
HMDB0014535 Human Metabolome Database
20037386 NMRShiftDB
75628 Brenda
3567 Brenda
594468 eMolecules
15676-16-1 ACToR
PA164745485 PharmGKB
sulpiride Atlas
14802423 PubChem: Thomson Pharma
5355 PubChem
32168 ChEBI
PD001493 ProbesDrugs
LSM-5080 LINCS
MCULE-7506797476 Mcule
SCHEMBL8421 SureChEMBL
The data in this table is sourced from UniChem at EBI.