MassBank:KOX00804p

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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4,4-Methylene bis(o-chloroaniline)

IDs and Links
MassBank	4,4-Methylene bis(o-chloroaniline)
CAS	101-14-4
Keio ID	M142+

Top 10 Similar Molecules of 4,4-Methylene bis(o-chloroaniline)

Ranking	About scoring
KOX00377p Score:15.13 KOX00449p Score:12.58 KOX00213p Score:12.58 KOX00912p Score:10.1 KOX00879p Score:10.1 KOX00877p Score:10.1 KOX00866p Score:10.1 KOX00840p Score:10.1 KOX00811p Score:10.1 KOX00809p Score:10.1	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
C13H13Cl2N2 (267)	C13H12ClN2 (231)	a
C13H13Cl2N2 (267)	C7H7ClN (140)	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。

KOX00804p	267 C13H13Cl2N2	231 C13H12ClN2	214 C13H9ClN	195 C13H11N2	180 C13H10N	168 C12H10N	167 C12H9N	151 C12H7	140 C7H7ClN	104 C7H6N	93 C6H7N	77 C6H5
267 C13H13Cl2N2
231 C13H12ClN2	HCl
214 C13H9ClN	H4ClN	H3N
195 C13H11N2	H2Cl2	HCl
180 C13H10N	H3Cl2N	H2ClN		HN
168 C12H10N	CH3Cl2N	CH2ClN		CHN	C
167 C12H9N	CH4Cl2N	CH3ClN	CCl	CH2N	CH	H
151 C12H7	CH6Cl2N2	CH5ClN2	CH2ClN	CH4N2	CH3N	H3N	H2N
140 C7H7ClN	C6H6ClN	C6H5N	C6H2
104 C7H6N	C6H7Cl2N	C6H6ClN	C6H3Cl	C6H5N	C6H4	C5H4	C5H3		HCl
93 C6H7N	C7H6Cl2N	C7H5ClN	C7H2Cl	C7H4N	C7H3	C6H3	C6H2		CCl
77 C6H5	C7H8Cl2N2	C7H7ClN2	C7H4ClN	C7H6N2	C7H5N	C6H5N	C6H4N	C6H2	CH2ClN	CHN	H2N

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