Dataset

Metolachlor-TP SYN547977; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01143109 contains the MS2 mass spectrum of Metolachlor-TP SYN547977 with the InChIkey JQPYVRCWJNISTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H20ClNO3/c1-10-6-5-7-13(12(3)18)15(10)17(14(19)8-16)11(2)9-20-4/h5-7,11H,8-9H2,1-4H3
SMILES ClCC(=O)N(C(C)COC)c1c(C)cccc1C(C)=O
InChI Key JQPYVRCWJNISTB-UHFFFAOYSA-N
Molecular Formula C15H20ClNO3
Exact Mass 297.113 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-EQ01143109
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MetadataPublished 2023-08-10
Related Molecule
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    Data-Source Molecule ID Data-Source
    168476556 PubChem
    The data in this table is sourced from UniChem at EBI.