Ojima:PBX00053p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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o-Anisicacid

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MassBank	o-Anisicacid
CAS
Keio ID

Top 10 Similar Molecules of o-Anisicacid

Ranking	About scoring
N028+ Score:21.37 E033+ Score:14.73 T126+ Score:11.69 Q001+ Score:10.95 B013+ Score:10.95 T002+ Score:10.95 P033+ Score:10.95 H139+ Score:10.95 T060+ Score:9.59 P047+ Score:9.59	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。

PBX00053p	153 C8H9O3	135 C8H7O2	95 C6H7O	92 C6H4O	79 C6H7	77 C6H5	64 C5H4	51 C4H3
153 C8H9O3
135 C8H7O2	H2O
95 C6H7O	C2H2O2	C2O
92 C6H4O	C2H5O2	C2H3O	H3
79 C6H7	C2H2O3	C2O2	O
77 C6H5	C2H4O3	C2H2O2	H2O		H2
64 C5H4	C3H5O3	C3H3O2	CH3O	CO	CH3	CH
51 C4H3	C4H6O3	C4H4O2	C2H4O	C2HO	C2H4	C2H2	CH

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