Ojima:PR100740n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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NADH

IDs and Links
MassBank	NADH
CAS	58-68-4
Keio ID

Top 10 Similar Molecules of NADH

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。

PR100740n	664 C21H28N7O14P2	541 C15H21N5O13P2	408 C10H12N5O9P2	159 HO6P2	134 C5H4N5	97 H2O4P	79 O3P
664 C21H28N7O14P2
541 C15H21N5O13P2	C6H7N2O
408 C10H12N5O9P2	C11H16N2O5	C5H9O4
159 HO6P2	C21H27N7O8	C15H20N5O7	C10H11N5O3
134 C5H4N5	C16H24N2O14P2	C10H17O13P2	C5H8O9P2
97 H2O4P	C21H26N7O10P	C15H19N5O9P	C10H10N5O5P
79 O3P	C21H28N7O11P	C15H21N5O10P	C10H12N5O6P	HO3P		H2O

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