Ojima:KO009213p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
P075+ Score:24.89 M035+ Score:6.23 S058+ Score:5.38 N063+ Score:5.38 M167+ Score:5.38 P059+ Score:5.38 B018+ Score:5.38	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

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[show] Page list for each fragment
Pages Related to Peak C22H30N7O5:   P075+   Pages Related to Peak C15H21N2O5:   P075+   Pages Related to Peak C7H10N5:   M035+  P075+   Pages Related to Peak C9H12NO:   B018+  P059+  P075+  M167+  N063+  S058+

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Precursor-Product Relationship

[show] About the PP Table (行列表示について)
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).	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1本の切断（開環の場合は2本）で生じる関係を意味します。

[hide] KO009213p	472 C22H30N7O5	309 C15H21N2O5	164 C7H10N5	150 C9H12NO
472 C22H30N7O5
309 C15H21N2O5	C7H9N5
164 C7H10N5	C15H20N2O5
150 C9H12NO	C13H18N6O4	C6H9NO4

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