MassBank:KOX00131p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Bentazon

IDs and Links
MassBank	Bentazon
CAS	25057-89-0
Keio ID	B072+

Top 10 Similar Molecules of Bentazon

Ranking	About scoring
KOX00302p Score:15.97 KOX00032p Score:15.97 KOX00840p Score:15.27 KOX00748p Score:12.38 KOX00221p Score:12.1 KOX00886p Score:11.41 KOX00854p Score:11.41 KOX00766p Score:11.41 KOX00673p Score:11.41 KOX00371p Score:11.41	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
C10H13N2O3S (241)	C10H11N2O2S (223)	-H2O
C10H13N2O3S (241)	C7H7N2O3S (199)	b
C10H13N2O3S (241)	C7H4NO3S (182)	b,-NH3
C10H13N2O3S (241)	C7H6NO (120)	a+b,-NH3
C10H13N2O3S (241)	C6H6N (92)	c
C10H13N2O3S (241)	C5H6N (80)	c+e
C10H13N2O3S (241)	C5H5 (65)	c+f[e+g]
C10H13N2O3S (241)	C3H8N (58)	d
C7H7N2O3S (199)	C7H4NO3S (182)	IT
C7H7N2O3S (199)	C7H7N2O (135)	IT
C7H7N2O3S (199)	C7H6NO (120)	IT
C7H7N2O3S (199)	C6H6N (92)	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。

KOX00131p	241 C10H13N2O3S	223 C10H11N2O2S	199 C7H7N2O3S	182 C7H4NO3S	150 C7H4NO3	135 C7H7N2O	120 C7H6NO	107 C6H7N2	92 C6H6N	80 C5H6N	65 C5H5	58 C3H8N
241 C10H13N2O3S
223 C10H11N2O2S	H2O
199 C7H7N2O3S	C3H6
182 C7H4NO3S	C3H9N		H3N
150 C7H4NO3	C3H9NS		H3NS	S
135 C7H7N2O	C3H6O2S	C3H4OS	O2S
120 C7H6NO	C3H7NO2S	C3H5NOS	HNO2S			HN
107 C6H7N2	C4H6O3S	C4H4O2S	CO3S			CO
92 C6H6N	C4H7NO3S	C4H5NO2S	CHNO3S			CHNO	CO	HN
80 C5H6N	C5H7NO3S	C5H5NO2S	C2HNO3S			C2HNO	C2O	CHN	C
65 C5H5	C5H8N2O3S	C5H6N2O2S	C2H2N2O3S			C2H2N2O	C2HNO	CH2N2	CHN	HN
58 C3H8N	C7H5NO3S	C7H3NO2S

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