Dataset

Laudanosine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300994 contains the MS2 mass spectrum of Laudanosine with the InChIkey KGPAYJZAMGEDIQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
SMILES COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1
InChI Key KGPAYJZAMGEDIQ-UHFFFAOYSA-N
Molecular Formula C21H27NO4
Exact Mass 357.450 g/mol

Data and Resources

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-PR300994
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MetadataPublished 2019-03-28
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL466529 SureChEMBL
    CB9423783 ChemicalBook
    50270376 BindingDB
    J10.989D Nikkaji
    91599 ChEBI
    HY-122489 MedChemExpress
    CHEMBL1407 ChEMBL
    70550 Brenda
    159778 Brenda
    HMDB0030213 Human Metabolome Database
    10016315 NMRShiftDB
    MCULE-1703608488 Mcule
    15548 PubChem
    PD045768 ProbesDrugs
    15423389 PubChem: Thomson Pharma
    LSM-1406 LINCS
    1096300 eMolecules
    The data in this table is sourced from UniChem at EBI.