Dataset

Anabasamine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301391 contains the MS2 mass spectrum of Anabasamine with the InChIkey TZRDBHMKTWECOV-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3
SMILES	CN1CCCCC1C1=CN=C(C=C1)C1=CN=CC=C1
InChI Key	TZRDBHMKTWECOV-UHFFFAOYSA-N
Molecular Formula	C16H19N3
Exact Mass	253.349 g/mol

Data and Resources

AnabasamineHTML

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Related Molecule ⌄

5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301391
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-5048600092	Mcule
161313	PubChem
70071171	NMRShiftDB
20410-87-1	ACToR
LSM-4409	LINCS
PD029270	ProbesDrugs
2570901	eMolecules
CHEMBL1411372	ChEMBL
J58.210G	Nikkaji
J2.807.450F	Nikkaji
65LB65490V	FDA SRS
93850	ChEBI
The data in this table is sourced from UniChem at EBI.