Dataset

Indalpine

This MassBank record with Accession MSBNK-Waters-WA002105 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-WA002105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:06.671120
MetadataModified 2024-01-11T22:49:06.830754
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
33510893 eMolecules
DB08953 DrugBank
15220628 PubChem: Thomson Pharma
V35562QSVT FDA SRS
63758-79-2 ACToR
PD009081 ProbesDrugs
44668 PubChem
SCHEMBL49135 SureChEMBL
CHEMBL276520 ChEMBL
50029150 BindingDB
HMDB0253446 Human Metabolome Database
J19.462J Nikkaji
DTXSID80213196 EPA CompTox Dashboard
ZINC000004674528 ZINC
1432 DrugCentral
134939 ChEBI
The data in this table is sourced from UniChem at EBI.