MassBank:KOX00107p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Aminophenylsulfone

IDs and Links
MassBank	4-Aminophenylsulfone
CAS	80-08-0
Keio ID	A220+

Top 10 Similar Molecules of 4-Aminophenylsulfone

Ranking	About scoring
KOX00863p Score:26.08 KOX00577p Score:22.53 KOX00840p Score:17.82 KOX00788p Score:17.82 KOX00647p Score:17.82 KOX00302p Score:17.82 KOX00823p Score:14.13 KOX00231p Score:14.13 KOX00032p Score:14.13 KOX00912p Score:13.99	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
C12H13N2O2S (249)	C6H6NO2S (156)	b
C12H13N2O2S (249)	C6H6NO (108)	x
C12H13N2O2S (249)	C6H8N (94)	a
C12H13N2O2S (249)	C6H7N (93)	a,rad.
C12H13N2O2S (249)	C6H6N (92)	a
C12H13N2O2S (249)	C5H6N (80)	d
C6H6NO2S (156)	C6H6NO (108)	IT
C6H6NO2S (156)	C6H6N (92)	IT
C6H6NO (108)	C5H6N (80)	IT
C6H6N (92)	C5H5 (65)	IT

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。

KOX00107p	249 C12H13N2O2S	156 C6H6NO2S	108 C6H6NO	94 C6H8N	93 C6H7N	92 C6H6N	80 C5H6N	65 C5H5
249 C12H13N2O2S
156 C6H6NO2S	C6H7N
108 C6H6NO	C6H7NOS	OS
94 C6H8N	C6H5NO2S
93 C6H7N	C6H6NO2S			H
92 C6H6N	C6H7NO2S	O2S	O	H2	H
80 C5H6N	C7H7NO2S	CO2S	CO	CH2	CH	C
65 C5H5	C7H8N2O2S	CHNO2S	CHNO	CH3N	CH2N	CHN	HN

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