Dataset

Indalpine

This MassBank record with Accession MSBNK-Waters-WA002106 contains the MS mass spectrum of Indalpine with the InChIkey SADQVAVFGNTEOD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
SMILES C1CNCCC1CCC2=CNC3=CC=CC=C32
InChI Key SADQVAVFGNTEOD-UHFFFAOYSA-N
Molecular Formula C15H20N2
Exact Mass 228.163 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-WA002106
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:35:41.377550
MetadataModified 2025-02-09T20:23:37.557658
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004674528 ZINC
15220628 PubChem: Thomson Pharma
44668 PubChem
PD009081 ProbesDrugs
SCHEMBL49135 SureChEMBL
DB08953 DrugBank
63758-79-2 ACToR
V35562QSVT FDA SRS
33510893 eMolecules
DTXSID80213196 EPA CompTox Dashboard
1432 DrugCentral
134939 ChEBI
J19.462J Nikkaji
HMDB0253446 Human Metabolome Database
50029150 BindingDB
CHEMBL276520 ChEMBL
The data in this table is sourced from UniChem at EBI.