Ojima:PR100736n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate

IDs and Links
MassBank	5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate
CAS	3031-94-5
Keio ID

Top 10 Similar Molecules of 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate

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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Annotations

Precursor	Product	Comments
(0)	(0)	KOX00076

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。

PR100736n	337 C9H14N4O8P	125 C4H5N4O	97 H2O4P	79 O3P
337 C9H14N4O8P
125 C4H5N4O	C5H9O7P
97 H2O4P	C9H12N4O4
79 O3P	C9H14N4O5		H2O

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