Ojima:KOX00084n

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All Molecules KOX PR PBX COX

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Allantoate

IDs and Links
MassBank	Allantoate
CAS	99-16-1
Keio ID	A139-

Top 10 Similar Molecules of Allantoate

Ranking	About scoring
S034+ Score:6.23 H104+ Score:6.23	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 CH3N2O:   H104+  S034+

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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。

KOX00084n	175 C4H7N4O4	132 C3H6N3O3	89 C2H5N2O2	72 C2H2NO2	59 CH3N2O
175 C4H7N4O4
132 C3H6N3O3	CHNO
89 C2H5N2O2	C2H2N2O2	CHNO
72 C2H2NO2	C2H5N3O2	CH4N2O	H3N
59 CH3N2O	C3H4N2O3	C2H3NO2	CH2O

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