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Rotenone

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00702

Dataset description:

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

Source: Rotenone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

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
Exact Mass	394.142 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	413d8802-ff3b-4a50-aa9e-a00e307cdb27
Package id	msbnk-washington_state_univ-bml00702
Resource type	HTML
State	active