Ojima:KOX00204n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Doxorubicin

IDs and Links
MassBank	Doxorubicin
CAS	23214-92-8
Keio ID	D064-

Top 10 Similar Molecules of Doxorubicin

Ranking	About scoring
	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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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。

KOX00204n	542 C27H28NO11	412 C21H16O9	396 C21H16O8	395 C21H15O8	365 C20H13O7	349 C20H13O6	337 C19H13O6	309 C18H13O5	277 C17H9O4
542 C27H28NO11
412 C21H16O9	C6H12NO2
396 C21H16O8	C6H12NO3	O
395 C21H15O8	C6H13NO3	HO	H
365 C20H13O7	C7H15NO4	CH3O2	CH3O	CH2O
349 C20H13O6	C7H15NO5	CH3O3	CH3O2	CH2O2	O
337 C19H13O6	C8H15NO5	C2H3O3	C2H3O2	C2H2O2	CO	C
309 C18H13O5	C9H15NO6	C3H3O4	C3H3O3	C3H2O3	C2O2	C2O	CO
277 C17H9O4	C10H19NO7	C4H7O5	C4H7O4	C4H6O4	C3H4O3	C3H4O2	C2H4O2	CH4O

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