Dataset

Dimetilan

This MassBank record with Accession MSBNK-Eawag-EQ01123103 contains the MS2 mass spectrum of Dimetilan with the InChIkey RDBIYWSVMRVKSG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3
SMILES CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C
InChI Key RDBIYWSVMRVKSG-UHFFFAOYSA-N
Molecular Formula C10H16N4O3
Exact Mass 240.122 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-EQ01123103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:31:52.929210
MetadataModified 2025-02-09T09:59:34.743296
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
509752 eMolecules
15044438 PubChem: Thomson Pharma
SCHEMBL118922 SureChEMBL
644-64-4 ACToR
S53KQ82I35 FDA SRS
DTXSID2041880 EPA CompTox Dashboard
ZINC000002031546 ZINC
CHEMBL3183014 ChEMBL
J62.073D Nikkaji
12572 PubChem
The data in this table is sourced from UniChem at EBI.