Dataset

Pinoxaden-TP NOA 407854; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ417801 contains the MS2 mass spectrum of Pinoxaden-TP NOA 407854 with the InChIkey QHUWVQWAKAJLTJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,16H,4-9H2,1-3H3
SMILES CCC1=CC(C)=CC(CC)=C1C1C(=O)N2CCOCCN2C1=O
InChI Key QHUWVQWAKAJLTJ-UHFFFAOYSA-N
Molecular Formula C18H24N2O3
Exact Mass 316.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ417801
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Maintainer
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MetadataPublished 2019-12-03
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID80895138 EPA CompTox Dashboard
    CB03345771 ChemicalBook
    ZINC000034596898 ZINC
    J2.856.372H Nikkaji
    50488052 BindingDB
    LEJBUZ CCDC
    CHEMBL2270363 ChEMBL
    M63Y91U388 FDA SRS
    11186156 PubChem
    16267079 PubChem: Thomson Pharma
    SCHEMBL64757 SureChEMBL
    The data in this table is sourced from UniChem at EBI.