Template:MassBank/Matrix
From Metabolomics.JP
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| + | {{#def:KeioID|{{#nth|{{#SearchLine:{{PAGENAME}}|Index|MassBank/Molecules}}|4|&&}}}} | ||
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last = nil | last = nil | ||
hit = nil | hit = nil | ||
| − | for | + | for word in stdin:gmatch("(%w+)") do |
| − | if (first == nil) then first = | + | if (first == nil) then first = word end |
| − | last = | + | last = word |
| − | if ( | + | if (word == "{{#var:KeioID}}") then |
hit = true | hit = true | ||
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elseif (hit) then | elseif (hit) then | ||
| − | next = | + | next = word |
hit = false | hit = false | ||
end | end | ||
| − | tmp = | + | tmp = word |
end | end | ||
if (next == nil) then next = last end | if (next == nil) then next = last end | ||
Revision as of 16:13, 2 July 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
| IDs and Links | |
|---|---|
| MassBank | MassBank/Matrix |
| CAS | |
| Keio ID | |
Contents |
Top 10 Similar Molecules of MassBank/Matrix
Similarity score is defined as the sum of Shannon entropy of shared ionic formulas.
- KOX00662p Score:19.04
- KOX00276p Score:19.04
- KOX00039p Score:10.76
- KOX00795p Score:8.27
- KOX00740p Score:8.27
- KOX00739p Score:8.27
- KOX00547p Score:8.27
- KOX00292p Score:8.27
- KOX00102p Score:8.27
- 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 |
|
