Ojima:PR100936n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Daphnetin

IDs and Links
MassBank	Daphnetin
CAS	486-35-1
Keio ID

Top 10 Similar Molecules of Daphnetin

Ranking	About scoring
X004+ Score:11.48 S041+ Score:10.56 P079+ Score:10.56 B026+ Score:8.6 B009+ Score:8.6 C047+ Score:7.9 A114+ Score:7.9 K005+ Score:7.68 T003+ Score:7.68 M115+ Score:6.63	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。

PR100936n	177 C9H5O4	149 C8H5O3	133 C8H5O2	121 C7H5O2	105 C7H5O	93 C6H5O	79 C5H3O	77 C6H5	67 C4H3O	65 C5H5
177 C9H5O4
149 C8H5O3	CO
133 C8H5O2	CO2	O
121 C7H5O2	C2O2	CO	C
105 C7H5O	C2O3	CO2	CO	O
93 C6H5O	C3O3	C2O2	C2O	CO	C
79 C5H3O	C4H2O3	C3H2O2	C3H2O	C2H2O	C2H2	CH2
77 C6H5	C3O4	C2O3	C2O2	CO2	CO	O
67 C4H3O	C5H2O3	C4H2O2	C4H2O	C3H2O	C3H2	C2H2	C
65 C5H5	C4O4	C3O3	C3O2	C2O2	C2O	CO		C

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