Dataset

Florasulam

This MassBank record with Accession MSBNK-Waters-WA000257 contains the MS2 mass spectrum of Florasulam with the InChIkey QZXATCCPQKOEIH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
SMILES COC(=N3)n(n1)c(C(F)=C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2
InChI Key QZXATCCPQKOEIH-UHFFFAOYSA-N
Molecular Formula C12H8F3N5O3S
Exact Mass 359.030 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-WA000257
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:49.946136
MetadataModified 2025-02-09T20:22:26.507131
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
30513377 eMolecules
16941104 PubChem: Thomson Pharma
11700495 PubChem
145701-23-1 ACToR
00A64ZX8NB FDA SRS
PD121958 ProbesDrugs
SCHEMBL116614 SureChEMBL
MCULE-3451149266 Mcule
CB4247603 ChemicalBook
ZINC000038276325 ZINC
206229 Brenda
C18850 KEGG Ligand
DB15316 DrugBank
HMDB0252312 Human Metabolome Database
CHEMBL3185236 ChEMBL
J1.388.962G Nikkaji
XANPUB CCDC
82009 ChEBI
DTXSID7044340 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.