Ojima:PR100646n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quercetin

IDs and Links
MassBank	Quercetin
CAS	117-39-5
Keio ID

Top 10 Similar Molecules of Quercetin

Ranking	About scoring
G062+ Score:6.23 A018+ 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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Page list for each fragment
Pages Related to Peak C7H5O2:   A018+  G062+

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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。

PR100646n	301 C15H9O7	179 C8H3O5	151 C7H3O4	121 C7H5O2	107 C6H3O2	83 C4H3O2
301 C15H9O7
179 C8H3O5	C7H6O2
151 C7H3O4	C8H6O3	CO
121 C7H5O2	C8H4O5
107 C6H3O2	C9H6O5	C2O3	CO2	CH2
83 C4H3O2	C11H6O5	C4O3	C3O2	C3H2	C2

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