Dataset

Formetanate

This MassBank record with Accession MSBNK-Eawag-EQ01126609 contains the MS2 mass spectrum of Formetanate with the InChIkey RMFNNCGOSPBBAD-UHFFFAOYSA-N.

Chemical Info

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-EQ01126609
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:26:54.288700
MetadataModified 2025-02-09T09:54:14.042854
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31099 PubChem
532HEC1KKM FDA SRS
22259-30-9 ACToR
38491 ChEBI
ZINC000255999521 ZINC
HMDB0252444 Human Metabolome Database
CHEMBL3303111 ChEMBL
DTXSID9041990 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.