Ojima:COX00070p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Poldine

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MassBank	Poldine
CAS
Keio ID

Top 10 Similar Molecules of Poldine

Ranking	About scoring
H073+ Score:10.1 T024+ Score:9.69 I063+ Score:9.69 B026+ Score:8.6 B009+ Score:8.6 X004+ Score:8.6 V021+ Score:7.03 D075+ Score:7.03 C032+ Score:7.03 A170+ Score:7.03	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。

COX00070p	340 C21H26NO3	131 C7H17NO	130 C7H16NO	105 C7H5O	85 C5H9O	77 C6H5	67 C5H7	58 C3H8N
340 C21H26NO3
131 C7H17NO	C14H9O2
130 C7H16NO	C14H10O2	H
105 C7H5O	C14H21NO2	H12N	H11N
85 C5H9O	C16H17NO2	C2H8N	C2H7N
77 C6H5	C15H21NO3	CH12NO	CH11NO	CO
67 C5H7	C16H19NO3	C2H10NO	C2H9NO		H2O
58 C3H8N	C18H18O3	C4H9O	C4H8O

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