Ojima:KOX00289n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Glycolylneuraminate

IDs and Links
MassBank	N-Glycolylneuraminate
CAS
Keio ID	G062-

Top 10 Similar Molecules of N-Glycolylneuraminate

Ranking	About scoring
P032+ Score:5.54 F025+ Score:5.54 A039+ Score:5.54 A017+ Score:5.54 A016+ Score:5.54 M022+ Score:2.97 A204+ Score:2.97 D030+ Score:2.97 T122+ Score:2.97 T098+ Score:2.97	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。

KOX00289n	324 C11H18NO10	236 C8H14NO7	186 C7H8NO5	116 C4H6NO3	87 C3H3O3	56 C3H6N
324 C11H18NO10
236 C8H14NO7	C3H4O3
186 C7H8NO5	C4H10O5	CH6O2
116 C4H6NO3	C7H12O7	C4H8O4	C3H2O2
87 C3H3O3	C8H15NO7	C5H11NO4	C4H5NO2	CH3N
56 C3H6N	C8H12O10	C5H8O7	C4H2O5	CO3

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