Ojima:PR100801n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Hesperidin

IDs and Links
MassBank	Hesperidin
CAS	520-26-3
Keio ID

Top 10 Similar Molecules of Hesperidin

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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Annotations

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。

PR100801n	609 C28H33O15	301 C16H13O6	286 C15H10O6	242 C14H10O4	164 C8H4O4	151 C7H3O4
609 C28H33O15
301 C16H13O6	C12H20O9
286 C15H10O6	C13H23O9	CH3
242 C14H10O4	C14H23O11	C2H3O2	CO2
164 C8H4O4	C20H29O11	C8H9O2	C7H6O2	C6H6
151 C7H3O4	C21H30O11	C9H10O2	C8H7O2	C7H7	CH

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