Ojima:PR100914n

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All Molecules KOX PR PBX COX

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Neutral Loss

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Quercetin-3,4'-O-di-beta-glucopyranoside

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MassBank	Quercetin-3,4'-O-di-beta-glucopyranoside
CAS	29125-80-2
Keio ID

Top 10 Similar Molecules of Quercetin-3,4'-O-di-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。

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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。

PR100914n	625 C27H29O17	462 C21H18O12	301 C15H9O7	300 C15H8O7	271 C14H7O6	255 C14H7O5	179 C8H3O5	151 C7H3O4
625 C27H29O17
462 C21H18O12	C6H11O5
301 C15H9O7	C12H20O10	C6H9O5
300 C15H8O7	C12H21O10	C6H10O5	H
271 C14H7O6	C13H22O11	C7H11O6	CH2O	CHO
255 C14H7O5	C13H22O12	C7H11O7	CH2O2	CHO2	O
179 C8H3O5	C19H26O12	C13H15O7	C7H6O2	C7H5O2	C6H4O	C6H4
151 C7H3O4	C20H26O13	C14H15O8	C8H6O3	C8H5O3	C7H4O2	C7H4O	CO

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