Dataset

Formetanate; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01126602 contains the MS2 mass spectrum of Formetanate with the InChIkey RMFNNCGOSPBBAD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)
SMILES CNC(=O)OC1=CC=CC(=C1)N=CN(C)C
InChI Key RMFNNCGOSPBBAD-UHFFFAOYSA-N
Molecular Formula C11H15N3O2
Exact Mass 221.116 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-EQ01126602
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MetadataPublished 2023-04-27
Related Molecule
  • [3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38491 chebi
    CHEMBL3303111 chembl
    116478 surechembl
    532HEC1KKM fdasrs
    HMDB0252444 hmdb
    The data in this table is sourced from UniChem at EBI.