Dataset

Indalpine; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA002107 contains the MS mass spectrum of Indalpine with the InChIkey SADQVAVFGNTEOD-UHFFFAOYSA-N.

Chemical Information

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

IndalpineHTML

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Related Molecule ⌄

3-(2-piperidin-4-ylethyl)-1H-indole

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002107
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	3-(2-piperidin-4-ylethyl)-1H-indole

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB08953	drugbank
CHEBI:134939	chebi
CHEMBL276520	chembl
29604957	surechembl
49135	surechembl
44668	pubchem
V35562QSVT	fdasrs
PD009081	probes_and_drugs
HMDB0253446	hmdb
DTXSID80213196	comptox
50029150	bindingdb
The data in this table is sourced from UniChem at EBI.