SIRIUS CANOPUS_formula_summary cannot export the MS-DIAL mgf file feature ID's/scan numbers

[naganarendrareddy2024]

Hi,

I'm encountering an issue with SIRIUS not processing my MS-DIAL output MGF file. Here is what i did:

1. I've exported an MGF file from MS-DIAL and am attempting to process it with SIRIUS.
2. SIRIUS does process it, but when I export the summaries, the CANOPUS_formula_summary file does not have same featureID/Scan number of my MS-DIAL mgf file. I need the featureID/SCAN numbers for integrating FBMN and CANOPUS formula summary on cytoscape.

I am attaching the CANOPUS summary file. If you need the mgf file, I can attach that too.

Thank you.

best,
Naga.

MS-DIAL_SIRIUS.xlsx

[mfleisch]

Hey,
the given feature ids from peaklist data (mgf, .ms., .mat) are stored in the mappingFeatureId column in the summary file.
However, in your case mappingFeatureId seems to be contain the default fallback which usually means that no feature ids could be found in the input. To see what is going on we would need to see the mgf you imported.

FYI:
If I remember correctly most MS-Dial users export results to .mat to import them into SIRIUS. Maybe due to missing feature ids in MGF, but this is just a guess?

[naganarendrareddy2024]

Hi,

I tried attaching the mgf file here, but it says mgf file type not allowed, I am attaching the .mat file here.

Thank you for your time and help.

Best,
Naga.

[naganarendrareddy2024]

Sorry, It won't allow me to upload the individual files, here is the zip file that contains both .mgf and .mat files.
GnpsMgf_Ms-DIAL_pos_011825_c1.zip

[naganarendrareddy2024]

Hi,

I am also attaching the same mgf file as attached in the previous communication, but with the word "scans" replaced with "AlignmentID" in the file.

Ms_DIAL_SIRIUS_export_pos.zip

Thank you.

Best,
Naga.