Ojima:PR100658n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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isorhamnetin-3-O-rutinoside

IDs and Links
MassBank	isorhamnetin-3-O-rutinoside
CAS	604-80-8
Keio ID

Top 10 Similar Molecules of isorhamnetin-3-O-rutinoside

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。

PR100658n	623 C28H31O16	315 C16H11O7	314 C16H10O7	300 C15H8O7	299 C15H7O7	285 C15H9O6	271 C14H7O6	255 C14H7O5	243 C13H7O5
623 C28H31O16
315 C16H11O7	C12H20O9
314 C16H10O7	C12H21O9	H
300 C15H8O7	C13H23O9	CH3	CH2
299 C15H7O7	C13H24O9	CH4	CH3	H
285 C15H9O6	C13H22O10	CH2O	CHO
271 C14H7O6	C14H24O10	C2H4O	C2H3O	CHO	CO	CH2
255 C14H7O5	C14H24O11	C2H4O2	C2H3O2	CHO2	CO2	CH2O	O
243 C13H7O5	C15H24O11	C3H4O2	C3H3O2	C2HO2	C2O2	C2H2O	CO	C

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