Ojima:COX00058p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Naltrexone

IDs and Links
MassBank	Naltrexone
CAS
Keio ID

Top 10 Similar Molecules of Naltrexone

Ranking	About scoring
D030+ Score:3.27 V020+ Score:3.27 S003+ Score:3.27 P206+ Score:3.27 P054+ Score:3.27 P035+ Score:3.27 O005+ Score:3.27 M115+ Score:3.27 M110+ Score:3.27 M039+ Score:3.27	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。

COX00058p	342 C20H24NO4	324 C20H22NO3	282 C18H20NO2	270 C16H16NO3	267 C17H17NO2	228 C14H14NO2	212 C13H10NO2	55 C4H7
342 C20H24NO4
324 C20H22NO3	H2O
282 C18H20NO2	C2H4O2	C2H2O
270 C16H16NO3	C4H8O	C4H6
267 C17H17NO2	C3H7O2	C3H5O	CH3
228 C14H14NO2	C6H10O2	C6H8O	C4H6	C2H2O	C3H3
212 C13H10NO2	C7H14O2	C7H12O	C5H10	C3H6O	C4H7	CH4
55 C4H7	C16H17NO4	C16H15NO3	C14H13NO2	C12H9NO3	C13H10NO2	C10H7NO2	C9H3NO2

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