I know about ACD/Spectrus Processor which is a software platform to integrate analytical chemistry data from multiple mass spectrometer device vendors (e.g. Agilent Technologies, Bruker, Waters) to allow data processing. Are there comparable software platforms out there which enable the integration of MS/chromatography data of different vendors for data processing?

BTW: I know that questions of this kind usually fits better to Software Recommnedations. However cause it's specific to the chemical domain I think it's more suitable to ask here.

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    $\begingroup$ I'd recommend first converting all your data to an open format such as *.mzML and then using MS-DIAL, mzMine2, Open-MS, or any other common open-source softwares that work with this data. All different sorts of processing workflows are available. $\endgroup$
    – Curt F.
    Feb 27, 2020 at 13:36

1 Answer 1


Some of the MS vendors made their software work with other vendors as well. E.g. ThermoFisher's Chromeleon, Waters' Empower seems to have Data Converters for this. If you already have software bought from your vendors it may make sense to research their cross-vendor capabilities.

There are also pure software companies that build vendor-agnostic tools:

  • As you mentioned - ACD/Spectrus which has a wide range of vendors supported.
  • Virscidian's Analytical Studio.
  • Elsci's Peaksel (disclaimer: I'm one of the developers).

The last two have good support for handling libraries (24, 96, 384, 1536 or more samples per experiment).

There are also open-source packages and libraries:


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