MassBank:KOX00789p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Methylaniline

IDs and Links
MassBank	N-Methylaniline
CAS	100-61-8
Keio ID	M066+

Top 10 Similar Molecules of N-Methylaniline

Ranking	About scoring
KOX00886p Score:25.32 KOX00831p Score:22.65 KOX00840p Score:19.6 KOX00231p Score:19.6 KOX00034p Score:19.6 KOX00694p Score:18.38 KOX00788p Score:16.93 KOX00697p Score:16.05 KOX00704p Score:15.98 KOX00673p Score:15.98	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
C7H10N (108)	C6H7N (93)	a,rad.
C7H10N (108)	C6H6N (92)	a
C7H10N (108)	C6H5 (77)	b
C7H10N (108)	C5H6 (66)	c,rad.
C7H10N (108)	C5H5 (65)	c
C7H10N (108)	C4H3 (51)	d

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。

KOX00789p	108 C7H10N	93 C6H7N	92 C6H6N	78 C5H4N	77 C6H5	66 C5H6	65 C5H5	51 C4H3
108 C7H10N
93 C6H7N	CH3
92 C6H6N	CH4	H
78 C5H4N	C2H6	CH3	CH2
77 C6H5	CH5N	H2N	HN
66 C5H6	C2H4N	CHN	CN
65 C5H5	C2H5N	CH2N	CHN		C	H
51 C4H3	C3H7N	C2H4N	C2H3N	CHN	C2H2	CH3	CH2

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