Template:MassBank/Matrix
From Metabolomics.JP
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=Precursor-Product Relationship= | =Precursor-Product Relationship= | ||
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| − | The matrix is viewed columnwise. The topmost precursor ion produces the product ions beneath it. | + | The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. |
Each formula in the matrix cell corresponds to the neutral loss. Black cells indicate product ions 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). | Each formula in the matrix cell corresponds to the neutral loss. Black cells indicate product ions 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). | ||
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| − | + | 行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 | |
| − | + | 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合の切断で生じる関係を意味します。 | |
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Revision as of 12:07, 25 May 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Contents |
Precursor-Product Relationship
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in the matrix cell corresponds to the neutral loss. Black cells indicate product ions 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)&&...&&
| MassBank/Matrix | 210 CHClFIONSP |
| 210 CHClFIONSP |
|
Top 10 Similar Molecules
Similarity 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 |
|---|---|---|
| CHClFINOPS |
