Dataset

Tridemorph

This MassBank record with Accession MSBNK-Waters-WA000110 contains the MS2 mass spectrum of Tridemorph with the InChIkey YTOPFCCWCSOHFV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
SMILES CCCCCCCCCCCCCN(C1)CC(C)OC(C)1
InChI Key YTOPFCCWCSOHFV-UHFFFAOYSA-N
Molecular Formula C19H39NO
Exact Mass 297.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000110
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:47.910313
MetadataModified 2024-01-11T22:46:48.059834
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50487253 BindingDB
J20.161H Nikkaji
CHEMBL2286765 ChEMBL
DTXSID3041376 EPA CompTox Dashboard
C11285 KEGG Ligand
24602-86-6 ACToR
14873638 PubChem: Thomson Pharma
81412-43-3 ACToR
SCHEMBL28670 SureChEMBL
32518 PubChem
43048 Brenda
3889 Brenda
CB8334732 ChemicalBook
83365 ChEBI
HMDB0031810 Human Metabolome Database
2735966 eMolecules
The data in this table is sourced from UniChem at EBI.