Ojima:PR100678n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quercetin-3-O-glucose-6-acetate

IDs and Links
MassBank	Quercetin-3-O-glucose-6-acetate
CAS	54542-51-7
Keio ID

Top 10 Similar Molecules of Quercetin-3-O-glucose-6-acetate

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。

PR100678n	505 C23H21O13	301 C15H9O7	300 C15H8O7	271 C14H7O6	255 C14H7O5	243 C13H7O5	227 C13H7O4	179 C8H3O5	151 C7H3O4
505 C23H21O13
301 C15H9O7	C8H12O6
300 C15H8O7	C8H13O6	H
271 C14H7O6	C9H14O7	CH2O	CHO
255 C14H7O5	C9H14O8	CH2O2	CHO2	O
243 C13H7O5	C10H14O8	C2H2O2	C2HO2	CO	C
227 C13H7O4	C10H14O9	C2H2O3	C2HO3	CO2	CO	O
179 C8H3O5	C15H18O8	C7H6O2	C7H5O2	C6H4O	C6H4	C5H4
151 C7H3O4	C16H18O9	C8H6O3	C8H5O3	C7H4O2	C7H4O	C6H4O	C6H4	CO

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