Dataset

Senecionine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA002657 contains the MS2 mass spectrum of Senecionine with the InChIkey HKODIGSRFALUTA-JTLQZVBZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
SMILES C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
InChI Key HKODIGSRFALUTA-JTLQZVBZSA-N
Molecular Formula C18H25NO5
Exact Mass 335.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002657
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MetadataPublished 2020-02-21
Related Molecule
  • (1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.