Dataset

D617

This MassBank record with Accession MSBNK-Athens_Univ-AU204504 contains the MS2 mass spectrum of D617 with the InChIkey WLOBUUJURNEQCL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3
SMILES CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(OC)C=C1
InChI Key WLOBUUJURNEQCL-UHFFFAOYSA-N
Molecular Formula C17H26N2O2
Exact Mass 290.199 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-AU204504
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:01:28.592546
MetadataModified 2025-02-08T18:55:33.185979
MetadataPublished 2015-12-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34245-14-2 ACToR
SCHEMBL6387741 SureChEMBL
15418829 PubChem: Thomson Pharma
93168 PubChem
10447998 eMolecules
HMDB0013962 Human Metabolome Database
MTBLC83528 Metabolights
DTXSID40891459 EPA CompTox Dashboard
J76.677A Nikkaji
50418097 BindingDB
L49D7PR96D FDA SRS
83528 ChEBI
CHEMBL1743342 ChEMBL
The data in this table is sourced from UniChem at EBI.