Ojima:PR100998n

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All Molecules KOX PR PBX COX

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Neutral Loss

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

IDs and Links
MassBank	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
CAS	18016-58-5
Keio ID

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

[show] 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

[show] 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。

[hide] PR100998n	609 C27H29O16	463 C21H19O12	447 C21H19O11	446 C21H18O11	301 C15H9O7	300 C15H8O7	299 C15H7O7	271 C14H7O6	255 C14H7O5	151 C7H3O4
609 C27H29O16
463 C21H19O12	C6H10O4
447 C21H19O11	C6H10O5	O
446 C21H18O11	C6H11O5	HO	H
301 C15H9O7	C12H20O9	C6H10O5	C6H10O4	C6H9O4
300 C15H8O7	C12H21O9	C6H11O5	C6H11O4	C6H10O4	H
299 C15H7O7	C12H22O9	C6H12O5	C6H12O4	C6H11O4	H2	H
271 C14H7O6	C13H22O10	C7H12O6	C7H12O5	C7H11O5	CH2O	CHO	CO
255 C14H7O5	C13H22O11	C7H12O7	C7H12O6	C7H11O6	CH2O2	CHO2	CO2	O
151 C7H3O4	C20H26O12	C14H16O8	C14H16O7	C14H15O7	C8H6O3	C8H5O3	C8H4O3	C7H4O2	C7H4O

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