Ojima:PR100312p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Formononetin

IDs and Links
MassBank	Formononetin
CAS	485-72-3
Keio ID

Top 10 Similar Molecules of Formononetin

Ranking	About scoring
T040+ Score:6.64 I050+ Score:6.64	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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Page list for each fragment
Pages Related to Peak C15H10O4:   T040+   Pages Related to Peak C8H6O:   I050+

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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。

PR100312p	269 C16H13O4	254 C15H10O4	253 C15H9O4	237 C15H9O3	226 C14H10O3	225 C14H9O3	213 C14H13O2	197 C13H9O2	118 C8H6O
269 C16H13O4
254 C15H10O4	CH3
253 C15H9O4	CH4	H
237 C15H9O3	CH4O	HO	O
226 C14H10O3	C2H3O	CO
225 C14H9O3	C2H4O	CHO	CO	C	H
213 C14H13O2	C2O2
197 C13H9O2	C3H4O2	C2HO2	C2O2	C2O	CHO	CO	CH4
118 C8H6O	C8H7O3	C7H4O3	C7H3O3	C7H3O2	C6H4O2	C6H3O2	C6H7O	C5H3O

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