Ojima:PR100610n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thymidine-5'-diphosphate

IDs and Links
MassBank	Thymidine-5'-diphosphate
CAS	491-97-4
Keio ID

Top 10 Similar Molecules of Thymidine-5'-diphosphate

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。

PR100610n	401 C10H15N2O11P2	275 C5H9O9P2	257 C5H7O8P2	177 H3O7P2	159 HO6P2	125 C5H5N2O2	97 H2O4P	79 O3P
401 C10H15N2O11P2
275 C5H9O9P2	C5H6N2O2
257 C5H7O8P2	C5H8N2O3	H2O
177 H3O7P2	C10H12N2O4	C5H6O2	C5H4O
159 HO6P2	C10H14N2O5	C5H8O3	C5H6O2	H2O
125 C5H5N2O2	C5H10O9P2
97 H2O4P	C10H13N2O7P	C5H7O5P	C5H5O4P	HO3P
79 O3P	C10H15N2O8P	C5H9O6P	C5H7O5P	H3O4P	HO3P		H2O

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