FragAssembler
FragAssembler
A tool to elucidate the structure of biotransformation products
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Input Files
Known metabolic reactions table(.csv)
Use Default File
Download Known metabolic reactions table demo
upload your file below
m/z candidates for biotransformation product (.csv)
Download m/z candidates of biotransformation product demo
MS/MS data for the m/z candidates of biotransformation product (.mat in .zip)
Download MS/MS data demo
Structural annotation of fragments from parent compound exported by MS-FINDER (.sfd, form MS-FINDER)
Download Structure finder result of parent compound demo
Parameters
Mass tolerance (ppm)
Cutoff of fragment intensity (%)
Maximum number of reactions
2
3
4
5
Charge state
CHARGE=1+
CHARGE=1-
phase I
phase II
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