Dataset

Terbutylazine

This MassBank record with Accession MSBNK-Athens_Univ-AU367604 contains the MS2 mass spectrum of Terbutylazine with the InChIkey FZXISNSWEXTPMF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
SMILES CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1
InChI Key FZXISNSWEXTPMF-UHFFFAOYSA-N
Molecular Formula C9H16ClN5
Exact Mass 229.109 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-Athens_Univ-AU367604
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:46:15.374458
MetadataModified 2024-01-11T09:46:15.516383
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000163706 ZINC
DTXSID4027608 EPA CompTox Dashboard
HY-B1847 MedChemExpress
CB3315253 ChemicalBook
61213 Brenda
HMDB0258829 Human Metabolome Database
JODMOF CCDC
J9.588E Nikkaji
22206 PubChem
15172363 PubChem: Thomson Pharma
5915-41-3 ACToR
SCHEMBL23642 SureChEMBL
PD011990 ProbesDrugs
M095B391J7 FDA SRS
30263 ChEBI
CHEMBL1888237 ChEMBL
C18810 KEGG Ligand
501394 eMolecules
The data in this table is sourced from UniChem at EBI.