Dataset

Furosemide

This MassBank record with Accession MSBNK-UFZ-UF407853 contains the MS2 mass spectrum of Furosemide with the InChIkey ZZUFCTLCJUWOSV-UHFFFAOYSA-N.

InChI	InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
SMILES	NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl
InChI Key	ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula	C12H11ClN2O5S
Exact Mass	330.008 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF407853
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:58:49.497485
MetadataModified	2025-02-09T19:48:53.363490
MetadataPublished	2017-01-05
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12014152	PubChem: Drugs of the Future
FUN	PDBe
SAM002264614	NIH Clinical Collection
DB00695	DrugBank
C07017	KEGG Ligand
CHEMBL35	ChEMBL
DISAL	rxnorm
LB-502	clinicaltrials
LASIX	clinicaltrials
FUROSEMIDE	clinicaltrials
HY-B0135	MedChemExpress
118985385	PubChem
DTXSID6020648	EPA CompTox Dashboard
1258	DrugCentral
ZINC000000035804	ZINC
4839	Guide to Pharmacology
FUROSEMIDE	rxnorm
FUROSEMIDE	DailyMed
LASIX	rxnorm
25902	BindingDB
FURSEM	CCDC
J1.913E	Nikkaji
3440	PubChem
PD002324	ProbesDrugs
furosemide	Atlas
7LXU5N7ZO5	FDA SRS
14875224	PubChem: Thomson Pharma
54-31-9	ACToR
PA449719	PharmGKB
Furosemide(Lasix)	Selleck
LSM-5847	LINCS
538364	eMolecules
SCHEMBL9811	SureChEMBL
MCULE-8037874224	Mcule
47426	ChEBI
125886	Brenda
27985	Brenda
HMDB0001933	Human Metabolome Database
CB2445739	ChemicalBook
furosemide	DailyMed
165948	Brenda
1557	Brenda
127067	Brenda
11952	Brenda
The data in this table is sourced from UniChem at EBI.