Dataset

Florasulam; LC-ESI-QQ; MS2; CE:70 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000259 contains the MS2 mass spectrum of Florasulam with the InChIkey QZXATCCPQKOEIH-UHFFFAOYSA-N.

Chemical Information

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-WA000259
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Maintainer
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MetadataPublished 2016-01-19
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    Data-Source Molecule ID Data-Source
    30513377 eMolecules
    16941104 PubChem: Thomson Pharma
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    PD121958 ProbesDrugs
    SCHEMBL116614 SureChEMBL
    MCULE-3451149266 Mcule
    CB4247603 ChemicalBook
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    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.