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how to import raw data into Sirius

Open yifanhh opened this issue 1 year ago • 1 comments

Hi, all. I hope to know how to import raw data (or spectrum) into Sirius app. The MS data was acquired in agilent Q-TOF

yifanhh avatar Sep 25 '23 15:09 yifanhh

Not sure if it's too late, but the way I found is to first process the data on MassHunter and export the data as a .cef file.

That file can then be imported into the Sirius app

backInTheChemLab avatar Jan 16 '24 18:01 backInTheChemLab

SIRIUS 6 does not have raw format support. Common workflows to process raw data are:

  • raw format -> msconvert -> .mzml -> SIRIUS (preprocessing is performed by SIRIUS)
  • raw format -> MassHunter -> .cef -> SIRIUS (preprocessing is performed by MassHunter)
  • raw format -> MZmine -> Eport To SIRIUS -> .mgf -> SIRIUS (preprocessing is performed by MZmine)
  • raw format -> MS-DIAL -> Eport To SIRIUS -> .mat -> SIRIUS (preprocessing is performed by MS-DIAL)

Some of this tutorials also cover this topic: https://youtube.com/playlist?list=PL8R4DKiWsw-tIG8w3hZWJunWZyy-qnIZM&si=4iDXS2ifTaMd7n_F

Many Verdor tools can export mzml these days, which is also a valuable option.

mfleisch avatar Sep 04 '24 17:09 mfleisch