Ojima:KOX00071n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Aminosalicylate

IDs and Links
MassBank	4-Aminosalicylate
CAS	65-49-6
Keio ID	A129-

Top 10 Similar Molecules of 4-Aminosalicylate

Ranking	About scoring
S016+ Score:5.54 G021+ Score:5.54 S079+ Score:5.54 B093+ Score:5.54 A220+ Score:5.54	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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Page list for each fragment
Pages Related to Peak C6H6NO:   A220+  B093+  S079+  G021+  S016+

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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。

KOX00071n	152 C7H6NO3	108 C6H6NO	92 C5H2NO	59 C2H3O2
152 C7H6NO3
108 C6H6NO	CO2
92 C5H2NO	C2H4O2	CH4
59 C2H3O2	C5H3NO

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