Dataset

Vincamine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00348 contains the MS2 mass spectrum of Vincamine with the InChIkey RXPRRQLKFXBCSJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3
SMILES CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
InChI Key RXPRRQLKFXBCSJ-UHFFFAOYSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.194 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-BML00348
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:31.965881
MetadataModified 2024-01-11T22:22:32.135306
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1989495 eMolecules
1972820 eMolecules
CHEMBL1604925 ChEMBL
DTXSID90274475 EPA CompTox Dashboard
107202 ChEBI
CB23160536 ChemicalBook
MTBLC107202 Metabolights
HMDB0253707 Human Metabolome Database
SCHEMBL3767 SureChEMBL
MCULE-7837687853 Mcule
10008930 NMRShiftDB
18374-18-0 ACToR
PD055558 ProbesDrugs
6835-99-0 ACToR
5668 PubChem
LSM-18556 LINCS
The data in this table is sourced from UniChem at EBI.