Dataset

Atropine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA002817 contains the MS2 mass spectrum of Atropine with the InChIkey RKUNBYITZUJHSG-SPUOUPEWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3
InChI Key RKUNBYITZUJHSG-SPUOUPEWSA-N
Molecular Formula C17H23NO3
Exact Mass 289.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002817
Version
Author
Maintainer
Language
MetadataPublished 2020-02-21
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