Ojima:PR100348p

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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peonidin-3-o-beta-d-glucopyranoside

IDs and Links
MassBank	peonidin-3-o-beta-d-glucopyranoside
CAS	68795-37-9
Keio ID

Top 10 Similar Molecules of peonidin-3-o-beta-d-glucopyranoside

Ranking	About scoring
	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。

PR100348p	463 C22H23O11	301 C16H13O6	286 C15H10O6	258 C14H10O5
463 C22H23O11
301 C16H13O6	C6H10O5
286 C15H10O6	C7H13O5	CH3
258 C14H10O5	C8H13O6	C2H3O	CO

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