Dataset

Tetrahydropalmatin; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA002461 contains the MS2 mass spectrum of Tetrahydropalmatin with the InChIkey AEQDJSLRWYMAQI-QGZVFWFLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1
SMILES COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
InChI Key AEQDJSLRWYMAQI-QGZVFWFLSA-N
Molecular Formula C21H25NO4
Exact Mass 355.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002461
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MetadataPublished 2020-02-21
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.