Dataset

Daminozide

This MassBank record with Accession MSBNK-Keio_Univ-KO002797 contains the MS2 mass spectrum of Daminozide with the InChIkey NOQGZXFMHARMLW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
SMILES CN(C)NC(=O)CCC(O)=O
InChI Key NOQGZXFMHARMLW-UHFFFAOYSA-N
Molecular Formula C6H12N2O3
Exact Mass 160.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002797
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T12:00:42.135664
MetadataModified 2024-01-15T12:00:42.366921
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL2164243 ChEMBL
15091185 PubChem: Thomson Pharma
F6KF33M5UB FDA SRS
LSM-6329 LINCS
DZA PDBe
1596-84-5 ACToR
PD012692 ProbesDrugs
HMDB0250838 Human Metabolome Database
7025 Guide to Pharmacology
J1.772H Nikkaji
15331 PubChem
72200802 PubChem
SCHEMBL50347 SureChEMBL
DTXSID9020370 EPA CompTox Dashboard
ZINC000001532111 ZINC
4312 ChEBI
MCULE-6532969482 Mcule
50395076 BindingDB
HY-13643 MedChemExpress
109208 Brenda
CB5752603 ChemicalBook
C10996 KEGG Ligand
508637 eMolecules
The data in this table is sourced from UniChem at EBI.