Dataset

Bumetanide

This MassBank record with Accession MSBNK-Waters-WA001774 contains the MS mass spectrum of Bumetanide with the InChIkey MAEIEVLCKWDQJH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
SMILES CCCCNc(c1)c(Oc(c2)cccc2)c(cc(C(O)=O)1)S(N)(=O)=O
InChI Key MAEIEVLCKWDQJH-UHFFFAOYSA-N
Molecular Formula C17H20N2O5S
Exact Mass 364.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001774
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:16.740467
MetadataModified 2025-02-09T20:15:30.950386
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2471 PubChem
82U PDBe
PD001439 ProbesDrugs
0Y2S3XUQ5H FDA SRS
14852701 PubChem: Thomson Pharma
28395-03-1 ACToR
PA448682 PharmGKB
Bumetanide Selleck
LSM-2848 LINCS
535080 eMolecules
MCULE-6802013568 Mcule
SCHEMBL27525 SureChEMBL
ZINC000003813061 ZINC
bumetanide DailyMed
HMDB0015024 Human Metabolome Database
151916 Brenda
SAM002564195 NIH Clinical Collection
3213 ChEBI
CHEMBL1072 ChEMBL
BUMETANIDE DailyMed
BUMEX rxnorm
BUMETANIDE rxnorm
BUMEX clinicaltrials
S-95008. clinicaltrials
BUMETANIDE clinicaltrials
25903 BindingDB
HY-17468 MedChemExpress
DTXSID5022699 EPA CompTox Dashboard
427 DrugCentral
4837 Guide to Pharmacology
J3.168B Nikkaji
FEDGON CCDC
S95008. clinicaltrials
DB00887 DrugBank
CB9382992 ChemicalBook
The data in this table is sourced from UniChem at EBI.