Dataset

Metazachlor BH 479-9; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA4087213166PH contains the MS2 mass spectrum of Metazachlor BH 479-9 with the InChIkey DYCHUHSHQIYFAI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)
SMILES CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)CS(=O)CC(O)=O
InChI Key DYCHUHSHQIYFAI-UHFFFAOYSA-N
Molecular Formula C16H19N3O4S
Exact Mass 349.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA4087213166PH
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MetadataPublished 2023-08-13
Related Molecule
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    Data-Source Molecule ID Data-Source
    139291839 pubchem
    The data in this table is sourced from UniChem at EBI.