Template:MassBank/Matrix
From Metabolomics.JP
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|#|{{#bar:}}}} | |#|{{#bar:}}}} | ||
| − | < | + | <!---- next/prev links at the page bottom----> |
| − | + | {{#lua: | |
| + | first = nil | ||
prev = nil | prev = nil | ||
| − | + | next = nil | |
| + | last = nil | ||
| + | hit = nil | ||
for line in stdin:gmatch("(%w+)") do | for line in stdin:gmatch("(%w+)") do | ||
| + | if (first == nil) then first = line end | ||
| + | last = line | ||
if (line == "{{PAGENAME}}") then | if (line == "{{PAGENAME}}") then | ||
| − | if ( | + | hit = true |
| − | + | if (tmp ~= nil) then | |
| − | + | prev = first | |
| + | else | ||
| + | prev = tmp | ||
end | end | ||
| + | elseif (hit) then | ||
| + | next = line | ||
end | end | ||
| − | + | tmp = line | |
end | end | ||
| − | + | if (next == nil) then next = last end | |
| − | if ( | + | print(first) |
| − | + | print(prev) | |
| − | |{{Persist:MassBank/AllPages}}}} | + | print(next) |
| − | + | print(last) | |
| − | + | |{{Persist:MassBank/AllPages}}}} | |
Revision as of 14:36, 8 June 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Contents |
Top 10 Similar Molecules
Similarity score is defined as the sum of Shannon entropy of shared ionic formulas.
- MassBank:KOX00662p Score:19.04
- MassBank:KOX00276p Score:19.04
- MassBank:KOX00039p Score:10.76
- MassBank:KOX00795p Score:8.27
- MassBank:KOX00740p Score:8.27
- MassBank:KOX00739p Score:8.27
- MassBank:KOX00547p Score:8.27
- MassBank:KOX00292p Score:8.27
- MassBank:KOX00102p Score:8.27
- MassBank:KOX00700p Score:5.38
Links
Annotations
| Precursor | Product | Comments |
|---|---|---|
| (0) | (0) | CHClFINOPS |
Precursor-Product Relationship
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).
No "ION INFO" line in the form &&(formula)&&(formula)&&...&&
| ID: MassBank/Matrix | 210 CHClFIONSP |
| 210 CHClFIONSP |
|
A002 nil Z003 Z003
