Ojima:COX00057p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Morphine_3_Glucuronide

IDs and Links
MassBank	Morphine_3_Glucuronide
CAS
Keio ID

Top 10 Similar Molecules of Morphine_3_Glucuronide

Ranking	About scoring
P192+ Score:13.28	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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Page list for each fragment
Pages Related to Peak C13H11O:   P192+   Pages Related to Peak C13H9:   P192+

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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。

COX00057p	462 C23H28NO9	286 C17H20NO3	229 C14H13O3	201 C13H13O2	185 C12H9O2	183 C13H11O	165 C13H9
462 C23H28NO9
286 C17H20NO3	C6H8O6
229 C14H13O3	C9H15NO6	C3H7N
201 C13H13O2	C10H15NO7	C4H7NO	CO
185 C12H9O2	C11H19NO7	C5H11NO	C2H4O	CH4
183 C13H11O	C10H17NO8	C4H9NO2	CH2O2	H2O
165 C13H9	C10H19NO9	C4H11NO3	CH4O3	H4O2		H2O

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