Ojima:COX00066p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Oxycodone

IDs and Links
MassBank	Oxycodone
CAS
Keio ID

Top 10 Similar Molecules of Oxycodone

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。

COX00066p	316 C18H22NO4	298 C18H20NO3	256 C16H18NO2	241 C15H15NO2	226 C14H12NO2	212 C14H14NO	181 C13H11N	175 C11H11O2
316 C18H22NO4
298 C18H20NO3	H2O
256 C16H18NO2	C2H4O2	C2H2O
241 C15H15NO2	C3H7O2	C3H5O	CH3
226 C14H12NO2	C4H10O2	C4H8O	C2H6	CH3
212 C14H14NO	C4H8O3	C4H6O2	C2H4O	CHO
181 C13H11N	C5H11O4	C5H9O3	C3H7O2	C2H4O2	CHO2	CH3O
175 C11H11O2	C7H11NO2	C7H9NO	C5H7N	C4H4N	C3HN

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