Dataset

Lactofen; LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+

This MassBank record with Accession MSBNK-Waters-WA000159 contains the MS2 mass spectrum of Lactofen with the InChIkey CONWAEURSVPLRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
SMILES CCOC(=O)C(C)OC(=O)c(c1)c(N(=O)=O)ccc(Oc(c2)c(Cl)cc(c2)C(F)(F)F)1
InChI Key CONWAEURSVPLRM-UHFFFAOYSA-N
Molecular Formula C19H15ClF3NO7
Exact Mass 461.049 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-WA000159
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1243178 ChEMBL
    CB3288630 ChemicalBook
    HMDB0253946 Human Metabolome Database
    DTXSID7024160 EPA CompTox Dashboard
    L44N8UV47O FDA SRS
    62276 PubChem
    CB1875737 ChemicalBook
    14858207 PubChem: Thomson Pharma
    77501-63-4 ACToR
    143956-87-0 ACToR
    2725247 eMolecules
    SCHEMBL39523 SureChEMBL
    162670 Brenda
    83389 Brenda
    The data in this table is sourced from UniChem at EBI.