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sirius-ms / sirius

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
GNU Affero General Public License v3.0
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Sirius 6 How do I know which Sirius internal ID corresponds to in the original ID in the input file? #165

Open DY970313 opened 2 weeks ago

DY970313 commented 2 weeks ago

Hello, I did a compound annotation task of mgf data using Sirius 6 with GUI. Everything was perfect until the results were exported. But when I exported the summary file, I found that 1）.tsv files had no original ID, only Sirius ID. For example: a feature in .mgf had an original ID of Unkown(0.09_396.0852m/z) and a Sirius ID of 589266962313865030, as shown below (in Sirius 6 GUI). image In all exported .tsv, there iwas no original ID. The exported IDs are as follows. .mgf and table derived from "FBMN export" were also all Sirius ID.

formulaId   alignedFeatureId    mappingFeatureId
589267320599701454  589266962313865030  589266962313865030

2）No report.mztab file was exported

So, I have no way of knowing which Sirius internal ID corresponds to in the original ID in the .mgf file, except in the GUI. However, I have thousands of features and cannot manually check them one by one on the GUI. Is there any other way to get it?

Thank you very much！

DY970313 commented 2 weeks ago

As a supplement, I tried to replace the original ID by the simpler value, e.g. C1, C2 and C3. But the problem still existed.