Ojima:PR101032p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quercetin-3-(6-malonyl)-Glucoside

IDs and Links
MassBank	Quercetin-3-(6-malonyl)-Glucoside
CAS	96862-01-0
Keio ID

Top 10 Similar Molecules of Quercetin-3-(6-malonyl)-Glucoside

Ranking	About scoring
G051+ Score:5.54 T065+ Score:5.54 M080+ Score:5.54 G020+ Score:5.54 F008+ 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 C6H7O3:   F008+  G020+  M080+  T065+  G051+

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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。

PR101032p	551 C24H23O15	303 C15H11O7	127 C6H7O3	79 C5H3O
551 C24H23O15
303 C15H11O7	C9H12O8
127 C6H7O3	C18H16O12	C9H4O4
79 C5H3O	C19H20O14	C10H8O6	CH4O2

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