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 2024-01-11T22:50:16.895943
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SAM002564195 NIH Clinical Collection
3213 ChEBI
CHEMBL1072 ChEMBL
BUMETANIDE DailyMed
25903 BindingDB
BUMETANIDE rxnorm
BUMEX clinicaltrials
S-95008. clinicaltrials
BUMETANIDE clinicaltrials
S95008. clinicaltrials
HY-17468 MedChemExpress
DTXSID5022699 EPA CompTox Dashboard
427 DrugCentral
ZINC000003813061 ZINC
4837 Guide to Pharmacology
J3.168B Nikkaji
FEDGON CCDC
BUMEX rxnorm
2471 PubChem
SCHEMBL27525 SureChEMBL
MCULE-6802013568 Mcule
535080 eMolecules
DB00887 DrugBank
CB9382992 ChemicalBook
151916 Brenda
HMDB0015024 Human Metabolome Database
bumetanide DailyMed
82U PDBe
PD001439 ProbesDrugs
0Y2S3XUQ5H FDA SRS
LSM-2848 LINCS
14852701 PubChem: Thomson Pharma
PA448682 PharmGKB
Bumetanide Selleck
28395-03-1 ACToR
The data in this table is sourced from UniChem at EBI.