Ming Wang

That would be step 2 for making sure the spectra are in your annotation file I believe.

Likley an issue within msaccess, because when we call msaccess here, they are consistent: https://gnps-lcms.ucsd.edu/?xicmz=314.1441%3B4315.1441&xic_formula=&xic_peptide=&xic_tolerance=0.05&xic_ppm_tolerance=10&xic_tolerance_unit=Da&xic_rt_window=3.35&xic_norm=False&xic_file_grouping=FILE&xic_integration_type=AUC&show_ms2_markers=True&ms2_identifier=None&show_lcms_2nd_map=False&map_plot_zoom=%7B%7D&polarity_filtering=None&polarity_filtering2=None&tic_option=TIC&overlay_usi=None&overlay_mz=row+m%2Fz&overlay_rt=row+retention+time&overlay_color=&overlay_size=&overlay_hover=&overlay_filter_column=&overlay_filter_value=&feature_finding_type=Off&feature_finding_ppm=10&feature_finding_noise=10000&feature_finding_min_peak_rt=0.05&feature_finding_max_peak_rt=1.5&feature_finding_rt_tolerance=0.3&sychronization_session_id=5f94c8120daa4d8c92a1afc2fccae246#%7B%22usi%22%3A%20%22mzspec%3AGNPS%3ATASK-b57851e217ea49c1a082da3761c388fe-f.daniel/DOM/170825_CCE2017/mzxml/170821_CCE2017_MSMS/CCE_P1706_138_MSMS.mzXML%22%2C%20%22usi2%22%3A%20%22%22%7D

In inspecting the link provided, the vast majority of the indolizidine molecules do not have any structure associated with them in the library. Without structure it is not possible to...

Can you list a single entry that you think should be classified? On Mon, Nov 16, 2020 at 8:33 PM Mabel Gonzalez wrote: > Hi Ming! > > I just...

This one is already classified in our cache so it should not be a problem: https://gnps-structure.ucsd.edu/classyfire?inchi=InChI=1S/C15H29N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13-15H,3-12H2,1-2H3 Ming On Tue, Nov 17, 2020 at 2:39 PM Mabel Gonzalez wrote: > Hi,...

Where is it missing? can you link and provide a screen shot? On Tue, Nov 17, 2020 at 2:46 PM Mabel Gonzalez wrote: > Hi Ming, > > I’m sorry...

I think the email is not showing anything. All I see if [cid:[email protected]] On Tue, Nov 17, 2020 at 3:10 PM Mabel Gonzalez wrote: > It’s the third entry here:...

I don't see an attachment. Perhaps use the github interface rather than email. On Tue, Nov 17, 2020 at 3:33 PM Mabel Gonzalez wrote: > I don’t know what’s going...

Which link goes with the image, I can see the image now. Also can you not respond via email, or if you do, remove the tail of the email. its...

Thanks for letting us know, we haven't pushed an update for this in a while. If you want to do it outside, you could write some code to hit the...