Dataset

Nicergoline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81795 contains the MS mass spectrum of Nicergoline with the InChIkey YSEXMKHXIOCEJA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3
SMILES CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
InChI Key YSEXMKHXIOCEJA-UHFFFAOYSA-N
Molecular Formula C24H26BrN3O3
Exact Mass 483.116 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-BML81795
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:19.345459
MetadataModified 2024-01-11T22:28:19.499356
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
BNMIER CCDC
95219 ChEBI
MCULE-9494932711 Mcule
4475 PubChem
LSM-6518 LINCS
CHEMBL4744096 ChEMBL
PD055374 ProbesDrugs
1988142 eMolecules
The data in this table is sourced from UniChem at EBI.