Dataset

Reserpine; LC-ESI-QTOF; MS2; 150 V

This MassBank record with Accession MSBNK-BAFG-CSL23111010108 contains the MS2 mass spectrum of Reserpine with the InChIkey QEVHRUUCFGRFIF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3
SMILES COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI Key QEVHRUUCFGRFIF-UHFFFAOYSA-N
Molecular Formula C33H40N2O9
Exact Mass 608.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111010108
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • methyl 6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:91839 chebi
    CHEMBL357497 chembl
    29375859 surechembl
    5372168 surechembl
    5052 pubchem
    4823 gtopdb
    PD055670 probes_and_drugs
    220074 brenda
    HMDB0249385 hmdb
    DTXSID30925499 comptox
    The data in this table is sourced from UniChem at EBI.