Dataset

Tralkoxydim (isomer1)

This MassBank record with Accession MSBNK-Waters-WA000096 contains the MS2 mass spectrum of Tralkoxydim (isomer1) with the InChIkey DQFPEYARZIQXRM-LTGZKZEYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+
SMILES CCON=C(CC)C(=C(O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1
InChI Key DQFPEYARZIQXRM-LTGZKZEYSA-N
Molecular Formula C20H27NO3
Exact Mass 329.199 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-WA000096
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:33:48.556313
MetadataModified 2025-02-09T20:23:21.896033
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
39J71H3DDD FDA SRS
15445954 PubChem: Thomson Pharma
SCHEMBL54229 SureChEMBL
501292 eMolecules
81948 ChEBI
135492483 PubChem
CB2299916 ChemicalBook
CHEMBL60556 ChEMBL
C18769 KEGG Ligand
The data in this table is sourced from UniChem at EBI.