Ojima:HC100296p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
CAS
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Top 10 Similar Molecules of

Ranking	About scoring
L016+ Score:6.64	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 C8H5O3:   L016+

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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。

Illegal ion order (check mass!): H153 < C8H5O3

HC100296p	303 C15H11O7	285 C15H9O6	257 C14H9O5	229 C13H9O4	15 H153	149 C8H5O3
303 C15H11O7
285 C15H9O6	H2O
257 C14H9O5	CH2O2	CO
229 C13H9O4	C2H2O3	C2O2	CO
15 H153
149 C8H5O3	C7H6O4	C7H4O3	C6H4O2	C5H4O

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