Ojima:PR100365p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Spiraeoside

IDs and Links
MassBank	Spiraeoside
CAS	20229-56-5
Keio ID

Top 10 Similar Molecules of Spiraeoside

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。

PR100365p	465 C21H21O12	303 C15H11O7	165 C8H5O4	153 C7H5O4	137 C7H5O3
465 C21H21O12
303 C15H11O7	C6H10O5
165 C8H5O4	C13H16O8	C7H6O3
153 C7H5O4	C14H16O8	C8H6O3	C
137 C7H5O3	C14H16O9	C8H6O4	CO	O

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