Dataset

Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ03126 contains the MS2 mass spectrum of Tandospirone with the InChIkey CEIJFEGBUDEYSX-FZDBZEDMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
SMILES C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI Key CEIJFEGBUDEYSX-FZDBZEDMSA-N
Molecular Formula C21H29N5O2
Exact Mass 383.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ03126
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MetadataPublished 2023-04-05
Related Molecule
  • (1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12833 drugbank
    CHEBI:145673 chebi
    CHEMBL274047 chembl
    49026 surechembl
    91273 pubchem
    190230I669 fdasrs
    PD012747 probes_and_drugs
    Molport-005-940-733 molport
    2563 drugcentral
    50099385 bindingdb
    50368723 bindingdb
    The data in this table is sourced from UniChem at EBI.