Dataset

Cocaethylene

This MassBank record with Accession MSBNK-Waters-WA000667 contains the MS mass spectrum of Cocaethylene with the InChIkey NMPOSNRHZIWLLL-XUWVNRHRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
SMILES CCOC(=O)C(C(OC(=O)c(c3)cccc3)1)C(C2)N(C)C(C2)C1
InChI Key NMPOSNRHZIWLLL-XUWVNRHRSA-N
Molecular Formula C18H23NO4
Exact Mass 317.163 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000667
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MetadataCreated 2024-01-11T22:41:44.904614
MetadataModified 2025-02-09T20:28:06.794289
MetadataPublished 2016-01-19
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