Hello,
I am looking for a software that will help me determine if an analyte from my library is present based on the obtained signals and similarity of signals. It's a tentative approach, but it can be very useful in practice if you know the nature of your samples (e.g. contaminated water with medications).
Thank you in advance for any possible answers.
Best regards
Hello, it may be helpful
Spectral Database for Organic Compounds SDBS
https://sdbs.db.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi
Thank you so much Ramkumar Varadharajan ! Since my goal is to automate the process, I'm looking more for a tool that analyzes my spectrum and tells me if it finds any matches with my database!
Specifically, you might be interested in this article:
https://resources.mestrelab.com/identification-and-quantification-of-compounds-with-nmr/?utm_source=rss&utm_medium=rss&utm_campaign=identification-and-quantification-of-compounds-with-nmr
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