Dataset

Rotenone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00702 contains the MS2 mass spectrum of Rotenone with the InChIkey JUVIOZPCNVVQFO-HBGVWJBISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
SMILES CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
InChI Key JUVIOZPCNVVQFO-HBGVWJBISA-N
Molecular Formula C23H22O6
Exact Mass 394.142 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00702
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MetadataCreated 2024-01-11T22:14:30.881039
MetadataModified 2025-02-09T20:11:21.293017
MetadataPublished 2016-01-19
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