Dataset

8-Geranyloxy psoralen; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01477 contains the MS2 mass spectrum of 8-Geranyloxy psoralen with the InChIkey SOVNCTNQAWWYAQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3
SMILES CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C
InChI Key SOVNCTNQAWWYAQ-UHFFFAOYSA-N
Molecular Formula C21H22O4
Exact Mass 338.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01477
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MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
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