Ojima:PR100680n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Daidzin

IDs and Links
MassBank	Daidzin
CAS	552-66-9
Keio ID

Top 10 Similar Molecules of Daidzin

Ranking	About scoring
D064+ 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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Pages Related to Peak C21H19O9:   D064+

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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。

PR100680n	415 C21H19O9	295 C17H11O5	267 C16H11O4	253 C15H9O4	252 C15H8O4	251 C15H7O4	224 C14H8O3	223 C14H7O3	135 C7H3O3	132 C8H4O2
415 C21H19O9
295 C17H11O5	C4H8O4
267 C16H11O4	C5H8O5	CO
253 C15H9O4	C6H10O5	C2H2O	CH2
252 C15H8O4	C6H11O5	C2H3O	CH3	H
251 C15H7O4	C6H12O5	C2H4O	CH4	H2	H
224 C14H8O3	C7H11O6	C3H3O2	C2H3O	CHO	CO
223 C14H7O3	C7H12O6	C3H4O2	C2H4O	CH2O	CHO	CO	H
135 C7H3O3	C14H16O6	C10H8O2	C9H8O	C8H6O	C8H5O	C8H4O	C7H5	C7H4
132 C8H4O2	C13H15O7	C9H7O3	C8H7O2	C7H5O2	C7H4O2	C7H3O2	C6H4O	C6H3O

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