Dataset

Furosemide

This MassBank record with Accession MSBNK-Waters-WA002572 contains the MS 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	OC(=O)c(c1)c(NCc(c2)occ2)cc(Cl)c1S(N)(=O)=O
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-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002572
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:46.489979
MetadataModified	2024-01-11T22:48:46.646380
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C07017	KEGG Ligand
DB00695	DrugBank
CHEMBL35	ChEMBL
FUN	PDBe
SAM002264614	NIH Clinical Collection
12014152	PubChem: Drugs of the Future
538364	eMolecules
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
4839	Guide to Pharmacology
J1.913E	Nikkaji
SCHEMBL9811	SureChEMBL
FURSEM	CCDC
47426	ChEBI
MCULE-8037874224	Mcule
DTXSID6020648	EPA CompTox Dashboard
118985385	PubChem
HY-B0135	MedChemExpress
LASIX	clinicaltrials
LB-502	clinicaltrials
1258	DrugCentral
FUROSEMIDE	clinicaltrials
25902	BindingDB
FUROSEMIDE	rxnorm
ZINC000000035804	ZINC
DISAL	rxnorm
FUROSEMIDE	DailyMed
LASIX	rxnorm
127067	Brenda
1557	Brenda
11952	Brenda
furosemide	DailyMed
CB2445739	ChemicalBook
27985	Brenda
125886	Brenda
HMDB0001933	Human Metabolome Database
165948	Brenda
The data in this table is sourced from UniChem at EBI.