Dataset

Metolachlor-TP SYN542490; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01143354 contains the MS2 mass spectrum of Metolachlor-TP SYN542490 with the InChIkey PJFBPRJNNJJYAR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H21NO6S/c1-10-6-5-7-13(12(3)17)15(10)16(11(2)8-22-4)14(18)9-23(19,20)21/h5-7,11H,8-9H2,1-4H3,(H,19,20,21)
SMILES O=S(=O)(O)CC(=O)N(C(C)COC)c1c(C)cccc1C(C)=O
InChI Key PJFBPRJNNJJYAR-UHFFFAOYSA-N
Molecular Formula C15H21NO6S
Exact Mass 343.109 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-EQ01143354
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MetadataPublished 2023-08-10
Related Molecule
  • 2-[2-acetyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476557 pubchem
    The data in this table is sourced from UniChem at EBI.