Dataset

Lysergide; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA001253 contains the MS mass spectrum of Lysergide with the InChIkey VAYOSLLFUXYJDT-RDTXWAMCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI Key VAYOSLLFUXYJDT-RDTXWAMCSA-N
Molecular Formula C20H25N3O
Exact Mass 323.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001253
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000096903803 ZINC
    MTBLC6605 Metabolights
    SCHEMBL113755 SureChEMBL
    5761 PubChem
    15470164 PubChem: Thomson Pharma
    15976361 PubChem: Thomson Pharma
    50-37-3 ACToR
    8NA5SWF92O FDA SRS
    80004486 NMRShiftDB
    PD009135 ProbesDrugs
    591397 eMolecules
    LYSERGIDE clinicaltrials
    DTXSID1023231 EPA CompTox Dashboard
    7LD PDBe
    50241702 BindingDB
    J9.239H Nikkaji
    21342 BindingDB
    1621 DrugCentral
    CHEMBL263881 ChEMBL
    C07542 KEGG Ligand
    6605 ChEBI
    17 Guide to Pharmacology
    DB04829 DrugBank
    The data in this table is sourced from UniChem at EBI.