MassBank:KOX00720p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2,4-Dimethylaniline

IDs and Links
MassBank	2,4-Dimethylaniline
CAS	95-68-1
Keio ID	D180+

Top 10 Similar Molecules of 2,4-Dimethylaniline

Ranking	About scoring
KOX00719p Score:44.79 KOX00811p Score:35.79 KOX00912p Score:31.79 KOX00697p Score:31.67 KOX00231p Score:30 KOX00703p Score:28.06 KOX00828p Score:26.76 KOX00866p Score:25.22 KOX00879p Score:24.37 KOX00797p Score:24.37	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
C8H12N (122)	C7H9N (107)	b,rad.[c,rad.]
C8H12N (122)	C7H8N (106)	b[c]
C8H12N (122)	C8H9 (105)	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。

KOX00720p	122 C8H12N	107 C7H9N	106 C7H8N	105 C8H9	103 C8H7	94 C6H8N	93 C6H7N	89 C7H5	80 C5H6N	79 C6H7	78 C6H6	77 C6H5	65 C5H5	53 C4H5	51 C4H3
122 C8H12N
107 C7H9N	CH3
106 C7H8N	CH4	H
105 C8H9	H3N
103 C8H7	H5N			H2
94 C6H8N	C2H4	CH	C
93 C6H7N	C2H5	CH2	CH			H
89 C7H5	CH7N	H4N	H3N	CH4	CH2
80 C5H6N	C3H6	C2H3	C2H2			CH2	CH
79 C6H7	C2H5N	CH2N	CHN	C2H2	C2	HN	N
78 C6H6	C2H6N	CH3N	CH2N	C2H3	C2H	H2N	HN			H
77 C6H5	C2H7N	CH4N	CH3N	C2H4	C2H2	H3N	H2N	C		H2	H
65 C5H5	C3H7N	C2H4N	C2H3N	C3H4	C3H2	CH3N	CH2N	C2	HN	CH2	CH	C
53 C4H5	C4H7N	C3H4N	C3H3N	C4H4	C4H2	C2H3N	C2H2N	C3	CHN	C2H2	C2H	C2	C
51 C4H3	C4H9N	C3H6N	C3H5N	C4H6	C4H4	C2H5N	C2H4N	C3H2	CH3N	C2H4	C2H3	C2H2	CH2	H2

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