Dataset

Metalaxyl-M-TP CGA108906; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ417057 contains the MS2 mass spectrum of Metalaxyl-M-TP CGA108906 with the InChIkey WFTHOCDLKYPFJX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)
SMILES COCC(=O)N(C(C)C(O)=O)C1=C(C=CC=C1C)C(O)=O
InChI Key WFTHOCDLKYPFJX-UHFFFAOYSA-N
Molecular Formula C14H17NO6
Exact Mass 295.106 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-EQ417057
Version
Author
Maintainer
Language
MetadataPublished 2019-12-03
Related Molecule
  • 2-[1-carboxyethyl-(2-methoxyacetyl)amino]-3-methylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28839529 surechembl
    117065479 pubchem
    XC5YAV8FFJ fdasrs
    Molport-046-692-452 molport
    The data in this table is sourced from UniChem at EBI.