Quinine

This MassBank record with Accession MSBNK-LCSB-LU027004 contains the MS2 mass spectrum of Quinine with the InChIkey LOUPRKONTZGTKE-WZBLMQSHSA-N.

InChI	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
SMILES	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
InChI Key	LOUPRKONTZGTKE-WZBLMQSHSA-N
Exact Mass	324.184 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 4.0 International (CC BY 4.0)
Id	85743a5f-2190-4abb-9893-7ffb40356c75
Package id	msbnk-lcsb-lu027004
Resource type	HTML
State	active