Ojima:COX00027p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Dimefline

IDs and Links
MassBank	Dimefline
CAS
Keio ID

Top 10 Similar Molecules of Dimefline

Ranking	About scoring
B026+ Score:8.6 B009+ Score:8.6 X004+ Score:8.6 I050+ Score:6.23 C063+ Score:6.23 N044+ Score:2.65 A155+ Score:2.65 D030+ Score:2.65 T126+ Score:2.65 T060+ Score:2.65	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。

COX00027p	324 C20H22NO3	279 C18H15O3	163 C9H7O3	133 C8H5O2	105 C7H5O	77 C6H5
324 C20H22NO3
279 C18H15O3	C2H7N
163 C9H7O3	C11H15N	C9H8
133 C8H5O2	C12H17NO	C10H10O	CH2O
105 C7H5O	C13H17NO2	C11H10O2	C2H2O2	CO
77 C6H5	C14H17NO3	C12H10O3	C3H2O3	C2O2	CO

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