Ojima:COX00068p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Perindopril

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MassBank	Perindopril
CAS
Keio ID

Top 10 Similar Molecules of Perindopril

Ranking	About scoring
P192+ Score:12.18 I063+ Score:12.18 O016+ Score:9.2 O009+ Score:9.2 T061+ Score:8.11 T024+ Score:8.11 A069+ Score:7.04 V001+ Score:7.04 A135+ Score:7.04 D075+ Score:5.13	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。

COX00068p	369 C19H33N2O5	295 C16H27N2O3	172 C9H18NO2	98 C6H12N	72 C4H10N	56 C3H6N
369 C19H33N2O5
295 C16H27N2O3	C3H6O2
172 C9H18NO2	C10H15NO3	C7H9NO
98 C6H12N	C13H21NO5	C10H15NO3	C3H6O2
72 C4H10N	C15H23NO5	C12H17NO3	C5H8O2	C2H2
56 C3H6N	C16H27NO5	C13H21NO3	C6H12O2	C3H6	CH4

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