PesticiDiscover

PestsiciDiscover allows users to upload sample LC-MS datafiles in standard formats (mzML, mzXML, or mzData), and uses our pipeline to detect pesticide residues on the samples. The pipeline consists of three steps: 1) extracting peaks from uploaded sample spectra; 2) annotating the peaks with matched ones from the pesticidal spectral library; 3) reporting the sample spectra profiles, matched metabolites, and related statistics.

Note: tips for using PesticiDiscover

1. Sample LC-MS datafiles must contain high-resolution LC-MS data collected off an instrument with centroid mode.
2. Sample LC-MS datafiles from different instruments can be converted to standard formats (mzML, mzXML, or mzData) using third party tools. One commonly used is ProteoWizard.
3. One LC-MS datafile can be uploaded at a time; a datafile is limited to 100M in size. An example is found here: .
4. PestsiciDiscover usually runs from minutes to hours for each LC-MS datafile. A web link to a result page will be returned once analysis is completed.
5. Your data are kept confidential with all uploaded data and results being automatically deleted within 72 hours.
6. Our pesticidal spectral library is updated periodically. You may check back to rerun your sample analysis.
7. If you need help, please refer to the tutorial , and if you have any other questions or concerns, please contact us .

Data upload portal

User Contact Info

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Raw Mass Spectral Data

(Make sure that the file name does not contain special characters, such as (),@,",/,*, etc; A datafile is limited to 100M in size. An example is found here: )

Select a datafile to upload:

Ionization mode: