Ojima:KO009237p

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

Ranking	About scoring
S042+ Score:39.83	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。

Links

Page list for each fragment
Pages Related to Peak C20H14NO4:   S042+   Pages Related to Peak C19H11NO4:   S042+   Pages Related to Peak C19H14NO3:   S042+   Pages Related to Peak C19H12NO3:   S042+   Pages Related to Peak C18H12NO2:   S042+   Pages Related to Peak C17H12NO:   S042+

Annotations

Precursor-Product Relationship

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。

KO009237p	332 C20H14NO4	317 C19H11NO4	304 C19H14NO3	302 C19H12NO3	276 C18H14NO2	274 C18H12NO2	246 C17H12NO	244 C17H10NO
332 C20H14NO4
317 C19H11NO4	CH3
304 C19H14NO3	CO
302 C19H12NO3	CH2O		H2
276 C18H14NO2	C2O2		CO
274 C18H12NO2	C2H2O2		CH2O	CO	H2
246 C17H12NO	C3H2O3		C2H2O2	C2O2	CH2O	CO
244 C17H10NO	C3H4O3	C2HO3	C2H4O2	C2H2O2	CH4O	CH2O	H2

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