Ojima:KOX00234n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Ethoxybenzoate

IDs and Links
MassBank	3-Ethoxybenzoate
CAS	621-51-2
Keio ID	E026-

Top 10 Similar Molecules of 3-Ethoxybenzoate

Ranking	About scoring
T002+ Score:6.23 L007+ Score:6.23 T008+ Score:5.54 S040+ Score:5.54 E007+ Score:5.54 A080+ Score:5.54 P075+ Score:5.54	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。

Links

Page list for each fragment
Pages Related to Peak C9H9O3:   L007+  T002+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+

Annotations

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。

KOX00234n	165 C9H9O3	121 C8H9O	92 C6H4O	91 C6H3O	45 CHO2
165 C9H9O3
121 C8H9O	CO2
92 C6H4O	C3H5O2	C2H5
91 C6H3O	C3H6O2	C2H6	H
45 CHO2	C8H8O

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