Dataset

Skimmianine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00610 contains the MS2 mass spectrum of Skimmianine with the InChIkey SLSIBLKBHNKZTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
SMILES COc1ccc2c(OC)c3ccoc3nc2c1OC
InChI Key SLSIBLKBHNKZTB-UHFFFAOYSA-N
Molecular Formula C14H13NO4
Exact Mass 259.264 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-RIKEN_NPDepo-NGA00610
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MetadataPublished 2018-04-04
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.