Dataset

Terbutylazine-desethyl

This MassBank record with Accession MSBNK-Eawag-EA067114 contains the MS2 mass spectrum of Terbutylazine-desethyl with the InChIkey LMKQNTMFZLAJDV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
SMILES Nc1nc(NC(C)(C)C)nc(Cl)n1
InChI Key LMKQNTMFZLAJDV-UHFFFAOYSA-N
Molecular Formula C7H12ClN5
Exact Mass 201.078 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA067114
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:17.097802
MetadataModified 2025-02-09T09:48:41.850055
MetadataPublished 2014-01-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1589090 ChEMBL
HY-136445 MedChemExpress
J506.228D Nikkaji
DTXSID80184211 EPA CompTox Dashboard
ZINC000000206409 ZINC
83522 ChEBI
108201 PubChem
30125-63-4 ACToR
501688 eMolecules
MCULE-1555777887 Mcule
SCHEMBL2491819 SureChEMBL
NO1MX260Z2 FDA SRS
MTBLC83522 Metabolights
The data in this table is sourced from UniChem at EBI.