Ojima:PR100186p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Orotic acid

IDs and Links
MassBank	Orotic acid
CAS	65-86-1
Keio ID

Top 10 Similar Molecules of Orotic acid

Ranking	About scoring
C033+ Score:6.63	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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Pages Related to Peak C3H2NO:   C033+

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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。

PR100186p	157 C5H5N2O4	139 C5H3N2O3	111 C4H3N2O2	68 C3H2NO
157 C5H5N2O4
139 C5H3N2O3	H2O
111 C4H3N2O2	CH2O2	CO
68 C3H2NO	C2H3NO3	C2HNO2	CHNO

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