Dataset

Florasulam; LC-ESI-QQ; MS2; CE:80 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000260 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-WA000260
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15316 drugbank
    CHEBI:82009 chebi
    CHEMBL3185236 chembl
    116614 surechembl
    11700495 pubchem
    00A64ZX8NB fdasrs
    PD121958 probes_and_drugs
    XANPUB CCDC
    206229 brenda
    HMDB0252312 hmdb
    Molport-027-598-569 molport
    The data in this table is sourced from UniChem at EBI.