MassBank:KOX00695p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Clonidine

IDs and Links
MassBank	Clonidine
CAS
Keio ID	C191+

Top 10 Similar Molecules of Clonidine

Ranking	About scoring
	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
C9H10Cl2N3 (230)	C9H7Cl2N2 (213)	f
C9H10Cl2N3 (230)	C9H9ClN3 (194)	d
C9H10Cl2N3 (230)	C7H5Cl2N2 (187)	e
C9H10Cl2N3 (230)	C7H4Cl2N (172)	b
C9H10Cl2N3 (230)	C6H4Cl2N (160)	a
C9H10Cl2N3 (230)	C6H3Cl2 (145)	c

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。

KOX00695p	230 C9H10Cl2N3	213 C9H7Cl2N2	194 C9H9ClN3	187 C7H5Cl2N2	172 C7H4Cl2N	160 C6H4Cl2N	145 C6H3Cl2	136 C7H3ClN	124 C6H3ClN	109 C6H2Cl
230 C9H10Cl2N3
213 C9H7Cl2N2	H3N
194 C9H9ClN3	HCl
187 C7H5Cl2N2	C2H5N	C2H2
172 C7H4Cl2N	C2H6N2	C2H3N		HN
160 C6H4Cl2N	C3H6N2	C3H3N		CHN	C
145 C6H3Cl2	C3H7N3	C3H4N2		CH2N2	CHN	HN
136 C7H3ClN	C2H7ClN2	C2H4ClN	C2H6N2	H2ClN	HCl
124 C6H3ClN	C3H7ClN2	C3H4ClN	C3H6N2	CH2ClN	CHCl	HCl		C
109 C6H2Cl	C3H8ClN3	C3H5ClN2	C3H7N3	CH3ClN2	CH2ClN	H2ClN	HCl	CHN	HN

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