Ojima:PR100811n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Poncirin

IDs and Links
MassBank	Poncirin
CAS	14941-08-3
Keio ID

Top 10 Similar Molecules of Poncirin

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。

PR100811n	593 C28H33O14	285 C16H13O5	270 C15H10O5	164 C8H4O4	151 C7H3O4
593 C28H33O14
285 C16H13O5	C12H20O9
270 C15H10O5	C13H23O9	CH3
164 C8H4O4	C20H29O10	C8H9O	C7H6O
151 C7H3O4	C21H30O10	C9H10O	C8H7O	CH

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