LC-MS Spectra Upload

MetaboAnalyst currently supports mzML, mzXML, CDF or mzData formats in centroid mode. For MS2 data, spectra should be acquired in either DDA or SWATH-DIA mode for each job. Mixed mode is not supported.

  1. [Required] MS1 Spectra uploaded as individual zip files - one zip (.zip) per spectrum [max: 200 spectra].
  2. [Optional] Either DDA- or SWATH-DIA-based LC-MS/MS Spectra should be uploaded as individual zip files (same as MS1) [max: 50 spectra]. MS2 data must start with "MS2_" or marked as "MS2" in meta data file.
  3. [Optional] Meta data uploaded as a plain text (.txt) file containing two columns - spectral names and group labels [example]
  4. [Optional] Quality control (QC) spectra should start with "QC_" or marked as "QC" in meta data. BLANK should be marked as "BLANK" in meta data for subtraction.

Depending on our server load, spectra processing can take a long time to complete, to avoid waiting:

  1. For guest users (default), after job submission, click Create Bookmark URL and save the URL so you can return later to check your job status.
  2. For registered users, use the buttons on the left panel to manage your projects. Larger data processing and analysis support are available for subscribed users.

Please Select all LC-MS1 and MS2 spectral data, then click Upload to start uploading. Once the uploading has completed, click Proceed to continue.
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Try our example data
Quick Demo (MS1)
A small example dataset for demo purposes, containing 10 spectra (UPLC-Q/E-ESI-, C18) organized into three groups (Healthy, Crohn's Disease and QC) from Lloyd-Price et al.
Malaria Data (MS1)
An experimental Malaria metabolomics dataset (UPLC-Q/E-ESI+, HILIC) between two immune status (Native vs. Semi-immune) from Li et al. 15 samples (12 Samples and 3 QCs) are included.
Blood Samples (MS1+DDA)
An whole blood metabolomics dataset (UPLC-Q/E-ESI+, HILIC) among three blood types. DDA MS/MS file included. A total of 30 samples (serum, plasma and whole blood samples (n=6 for each), 6 QCs and 6 DDA MS/MS samples) are included.
COVID-19 dataset (MS1+SWATH-DIA)
An clinical metabolomics dataset (UPLC-TripleTOF 5600+, AB Sciex, ESI-, Acquity XSelect HSS T3 column) between control and COVID patients from Mahmoud S. et al. 16 samples (12 MS1 Samples and 4 SWATH-DIA files) are included.