MassBank:KOX00656p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Aminophenol

IDs and Links
MassBank	2-Aminophenol
CAS	95-55-6
Keio ID	A114+

Top 10 Similar Molecules of 2-Aminophenol

Ranking	About scoring
KOX00840p Score:17.39 KOX00886p Score:12.26 KOX00748p Score:9.37 KOX00866p Score:8.02 KOX00689p Score:8.02 KOX00877p Score:6.72 KOX00863p Score:6.72 KOX00854p Score:6.72 KOX00853p Score:6.72 KOX00831p Score:6.72	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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Annotations

Precursor	Product	Comments
C6H8NO (110)	C6H5O (93)	b
C6H8NO (110)	C6H6N (92)	a

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。

KOX00656p	110 C6H8NO	93 C6H5O	92 C6H6N	65 C5H5
110 C6H8NO
93 C6H5O	H3N
92 C6H6N	H2O
65 C5H5	CH3NO	CO	CHN

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