Dataset

Lobeline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81620 contains the MS mass spectrum of Lobeline with the InChIkey MXYUKLILVYORSK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
SMILES CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O
InChI Key MXYUKLILVYORSK-UHFFFAOYSA-N
Molecular Formula C22H27NO2
Exact Mass 337.204 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-Washington_State_Univ-BML81620
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:26.146659
MetadataModified 2024-01-11T22:25:26.302877
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL15476 ChEMBL
1987505 eMolecules
8814152 eMolecules
50047021 BindingDB
3945 PubChem
70131585 NMRShiftDB
14924689 PubChem: Thomson Pharma
LSM-6479 LINCS
PD062649 ProbesDrugs
SCHEMBL290804 SureChEMBL
MCULE-9162664366 Mcule
HMDB0254137 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.