Ojima:PR100225p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Daidzein

IDs and Links
MassBank	Daidzein
CAS	486-66-8
Keio ID

Top 10 Similar Molecules of Daidzein

Ranking	About scoring
D030+ Score:3.27 T044+ Score:3.27 T032+ Score:3.27 T031+ Score:3.27 T030+ Score:3.27 T024+ Score:3.27 T008+ Score:3.27 S058+ Score:3.27 Q001+ Score:3.27 P206+ Score:3.27	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。

PR100225p	255 C15H11O4	237 C15H9O3	227 C14H11O3	199 C13H11O2	181 C13H9O	137 C7H5O3	91 C7H7
255 C15H11O4
237 C15H9O3	H2O
227 C14H11O3	CO
199 C13H11O2	C2O2		CO
181 C13H9O	C2H2O3	C2O2	CH2O2	H2O
137 C7H5O3	C8H6O	C8H4	C7H6
91 C7H7	C8H4O4	C8H2O3	C7H4O3	C6H4O2	C6H2O

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