Ojima:PR101000n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside

IDs and Links
MassBank	Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
CAS	2392-95-2
Keio ID

Top 10 Similar Molecules of Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside

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。

PR101000n	593 C27H29O15	447 C21H19O11	431 C21H19O10	430 C21H18O10	285 C15H9O6	284 C15H8O6	283 C15H7O6	255 C14H7O5
593 C27H29O15
447 C21H19O11	C6H10O4
431 C21H19O10	C6H10O5	O
430 C21H18O10	C6H11O5	HO	H
285 C15H9O6	C12H20O9	C6H10O5	C6H10O4	C6H9O4
284 C15H8O6	C12H21O9	C6H11O5	C6H11O4	C6H10O4	H
283 C15H7O6	C12H22O9	C6H12O5	C6H12O4	C6H11O4	H2	H
255 C14H7O5	C13H22O10	C7H12O6	C7H12O5	C7H11O5	CH2O	CHO	CO

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