Dataset

Scopolamine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82472 contains the MS mass spectrum of Scopolamine with the InChIkey STECJAGHUSJQJN-USLFZFAMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1
SMILES CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI Key STECJAGHUSJQJN-USLFZFAMSA-N
Molecular Formula C17H21NO4
Exact Mass 303.147 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-BML82472
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MetadataCreated 2024-01-11T22:16:29.647490
MetadataModified 2025-02-09T20:11:28.869005
MetadataPublished 2016-01-19
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