Ojima:KOX00541n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quisqualate

IDs and Links
MassBank	Quisqualate
CAS	52809-07-1
Keio ID	Q003-

Top 10 Similar Molecules of Quisqualate

Ranking	About scoring
A166+ Score:5.72 M110+ Score:5.72 C208+ Score:5.72 A045+ Score:5.72	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。

Links

Page list for each fragment
Pages Related to Peak C2H5N2:   A045+  C208+  M110+  A166+

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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。

KOX00541n	188 C5H6N3O5	101 C2HN2O3	57 C2H5N2	42 CNO
188 C5H6N3O5
101 C2HN2O3	C3H5NO2
57 C2H5N2	C3HNO5
42 CNO	C4H6N2O4	CHNO2

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