Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Dereplicator+ Adducts in negative mode #8

Open
froz9 opened this issue Dec 18, 2024 · 0 comments
Open

Dereplicator+ Adducts in negative mode #8

froz9 opened this issue Dec 18, 2024 · 0 comments

Comments

@froz9
Copy link

froz9 commented Dec 18, 2024

Hi,

I am running Dereplicator+ on an .MGF file derived from negative mode data. The input file contains negative charges, however, the results only show positive ion mode adducts.

I have reviewed the Dereplicator+ paper, which states:
"To assess the capability of DEREPLICATOR+ in identifying compounds in the negative ionization modes, we analyzed 341 additional spectra in the GNPS spectral library collected in the ESI (-) mode. DEREPLICATOR+ search correctly identified 88 (26%) of these compounds as top predictions (Supplementary Data 9)."

This statement suggests that Dereplicator+ is capable of analyzing data in negative ionization mode (ESI-).

Could you please provide guidance on how to address this issue and obtain correct adduct predictions for my negative mode data?

Thank you in advance.

Captura de pantalla 2024-12-17 194522
Captura de pantalla 2024-12-17 194548

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant