Ojima:PR100227p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isorhamnetin

IDs and Links
MassBank	Isorhamnetin
CAS	480-19-3
Keio ID

Top 10 Similar Molecules of Isorhamnetin

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。

PR100227p	317 C16H13O7	302 C15H10O7	285 C15H9O6	245 C13H9O5	229 C13H9O4	153 C7H5O4
317 C16H13O7
302 C15H10O7	CH3
285 C15H9O6	CH4O	HO
245 C13H9O5	C3H4O2	C2HO2	C2O
229 C13H9O4	C3H4O3	C2HO3	C2O2	O
153 C7H5O4	C9H8O3	C8H5O3	C8H4O2	C6H4O	C6H4

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