Database:
Neutral Mass:
Search ppm:
Formula:
Identifiers:
Parent Ion:
Define database type.
Monoisotopic mass of the neutral precursor. This can be calculated by using the 'Parent Ion' information or by setting the Molecular 'Formula'.
Relative mass deviation (ppm) used to perform candidate search by mass.
Molecular formula of the neutral precursor used to perform candidate search.
Database specific identifiers used to perform candidate search. Example for PubChem: 932,7023,911 Example for KEGG: C00509,C00029
Calculate the neutral mass from the measured precursor m/z and the adduct type.
Download retrieved candidates as CSV, SDF or XLS file.
Mzppm:
Mzabs:
Mode:
Tree depth:
Group candidates
MS/MS Peak list
Relative mass deviation to match generated fragments against MS/MS peaks. Mzppm and Mzabs are additive.
Absolute mass deviation to match generated fragments against MS/MS peaks. Mzppm and Mzabs are additive.
Select adduct type of the precursor ion.
MS/MS peak list containing m/z intensity pairs one per line. Only the 40 most abundant peaks will be used for the scoring.
Group candidates based on their InChIKey (first part).
Retrieving Candidates


Select format
Status
Download Parameters
Creating Parameter Files
Processing

100%


Select format
Creating Result File
Spectrum View
Select area to zoom in. Double click to return.
Spectrum View as Image
Fragments View
Scores View
Session expired
Your session has expired. Reload
page to continue.


metfrag-784f8c9b6d-8grzr v2.5.0
Submit Feedback
You can also submit feedback on our GitHub repositiory.
Email:
Comment:
Type:
With submitting feedback to the MetFrag developers you can give permission to store the input data on the MetFrag server. This is necessary as it helps to reproduce and fix an arisen error.
Sending Feedback
About MetFrag