Ojima:COX00006p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adiphenine

IDs and Links
MassBank	Adiphenine
CAS
Keio ID

Top 10 Similar Molecules of Adiphenine

Ranking	About scoring
P192+ Score:6.63 N018+ Score:6.23 M089+ Score:6.23 P190+ Score:5.72 M099+ Score:5.72 C114+ Score:5.72 A196+ Score:5.72	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。

Links

Page list for each fragment
Pages Related to Peak C13H9:   P192+   Pages Related to Peak C12H8:   M089+  N018+   Pages Related to Peak C6H14N:   A196+  C114+  M099+  P190+

Annotations

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。

COX00006p	312 C20H26NO2	239 C16H15O2	167 C13H11	165 C13H9	152 C12H8	100 C6H14N
312 C20H26NO2
239 C16H15O2	C4H11N
167 C13H11	C7H15NO2	C3H4O2
165 C13H9	C7H17NO2	C3H6O2	H2
152 C12H8	C8H18NO2	C4H7O2	CH3	CH
100 C6H14N	C14H12O2

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