Ojima:PR100637n

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
C063+ Score:10.72 N018+ Score:6.64 N044+ Score:4.08 T031+ Score:4.08 S041+ Score:4.08 N016+ Score:4.08 M103+ Score:4.08 M101+ Score:4.08 K005+ Score:4.08 D180+ Score:4.08	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 C12H9O:   N018+   Pages Related to Peak C8H5O:   C063+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  N044+

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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。

PR100637n	253 C15H9O4	224 C14H8O3	223 C14H7O3	209 C14H9O2	208 C14H8O2	195 C13H7O2	180 C13H8O	169 C12H9O	167 C12H7O	135 C7H3O3	133 C8H5O2	132 C8H4O2	117 C8H5O	91 C6H3O	89 C7H5
253 C15H9O4
224 C14H8O3	CHO
223 C14H7O3	CH2O	H
209 C14H9O2	CO2
208 C14H8O2	CHO2	O		H
195 C13H7O2	C2H2O2	CHO	CO	CH2	CH
180 C13H8O	C2HO3	CO2		CHO	CO
169 C12H9O	C3O3			C2O
167 C12H7O	C3H2O3	C2HO2	C2O2	C2H2O	C2HO	CO	CH	H2
135 C7H3O3	C8H6O	C7H5	C7H4
133 C8H5O2	C7H4O2	C6H3O	C6H2O	C6H4	C6H3	C5H2
132 C8H4O2	C7H5O2	C6H4O	C6H3O	C6H5	C6H4	C5H3					H
117 C8H5O	C7H4O3	C6H3O2	C6H2O2	C6H4O	C6H3O	C5H2O	C5H3	C4H4	C4H2		O
91 C6H3O	C9H6O3	C8H5O2	C8H4O2	C8H6O	C8H5O	C7H4O	C7H5	C6H6	C6H4	CO2	C2H2O	C2HO	C2H2
89 C7H5	C8H4O4	C7H3O3	C7H2O3	C7H4O2	C7H3O2	C6H2O2	C6H3O	C5H4O	C5H2O		CO2		CO

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