Ojima:COX00075p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Prolintane

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MassBank	Prolintane
CAS
Keio ID

Top 10 Similar Molecules of Prolintane

Ranking	About scoring
M167+ Score:10.91 S013+ Score:10.91 M169+ Score:8.03 F016+ Score:8.03 D039+ Score:8.03 S041+ Score:7.64 P047+ Score:7.64 D180+ Score:7.64 D178+ Score:7.64 P190+ Score:6.94	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。

COX00075p	218 C15H24N	147 C11H15	105 C8H9	91 C7H7	72 C4H10N	65 C5H5
218 C15H24N
147 C11H15	C4H9N
105 C8H9	C7H15N	C3H6
91 C7H7	C8H17N	C4H8	CH2
72 C4H10N	C11H14
65 C5H5	C10H19N	C6H10	C3H4	C2H2

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