CropMetaDiscover allows users to upload sample LC-MS datafiles in standard formats (mzML, mzXML, or mzData), and uses our pipeline to perform metabolite annotation on the samples. The pipeline consists of three steps: 1) detecting peaks in MS1 spectra and extracting MS2 spectra for the detected peaks; 2) annotating peaks by matching their MS1/MS2 patterns to those of reference metabolites in MS2T library of a designated crop; 3) reporting the sample metabolic profile by extracting peak intensity values and metabolite identity.
Note: tips for using CropMetaDiscover
- 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 50M in size. An example is found here: .
- 4. CropMetaDiscover usually runs from minutes to hours for each LC-MS datafile. A web link (valid for 72 hours) to a result page will be returned by email once analysis is completed.
- 5. Your data are kept confidential with all uploaded data and results being automatically deleted within 72 hours of email notice.
- 6. If you are interested to collaborate with us on expanding CropMetaWeb data and covering other crops, like sorghum, millet, beet, coffee, tea, tomato, peanut, olive, etc. Please use the "Submit" tool and feel free to contact us .