Ojima:PR100463p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Cyanidin-3-O-(6-O-(E-p-coum)-2-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside

IDs and Links
MassBank	Cyanidin-3-O-(6-O-(E-p-coum)-2-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside
CAS	763896-30-6
Keio ID

Top 10 Similar Molecules of Cyanidin-3-O-(6-O-(E-p-coum)-2-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-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。

Links

Page list for each fragment

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。

PR100463p	889 C41H45O22	727 C35H35O17	449 C21H21O11	287 C15H11O6
889 C41H45O22
727 C35H35O17	C6H10O5
449 C21H21O11	C20H24O11	C14H14O6
287 C15H11O6	C26H34O16	C20H24O11	C6H10O5

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)