Template:MassBank/Matrix
From Metabolomics.JP
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---Register Ions--- | ---Register Ions--- | ||
---全ページのイオンヘッダーにおける頻度を登録。最初の要素はページ名--- | ---全ページのイオンヘッダーにおける頻度を登録。最初の要素はページ名--- | ||
− | for id, frag in stdin:gmatch("&&[%d-]+&&([%a%d]+)&&([%S]+)") do | + | for id, frag in stdin:gmatch("&&[ %a%d-]+&&([%a%d]+)&&([%S]+)") do |
table.insert(Name, id) | table.insert(Name, id) | ||
T = {} | T = {} |
Revision as of 21:21, 30 June 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.
- C4H12NO3 Score:13.1
- C5H12N3O2 Score:13.1
- C9H18NO7 Score:7.9
- C6H14NO5 Score:7.9
- C6H14NO5 Score:7.9
- C17H35N4O10 Score:7.9
- C6H15NO8P Score:7.9
- C11H20NO8 Score:7.9
- C7H16NO2 Score:5.19
- C7H16NO2 Score:5.19
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 |
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