MassBank:KOX00703p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

2,6-Diethylaniline

IDs and Links
MassBank	2,6-Diethylaniline
CAS	579-66-8
Keio ID	D039+

Top 10 Similar Molecules of 2,6-Diethylaniline

Ranking	About scoring
KOX00720p Score:28.06 KOX00828p Score:20.82 KOX00719p Score:20.82 KOX00807p Score:18.72 KOX00811p Score:17.57 KOX00485p Score:17.54 KOX00053p Score:17.54 KOX00236p Score:17.24 KOX00879p Score:17.16 KOX00797p Score:17.16	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。

Links

Annotations

Precursor	Product	Comments
C10H16N (150)	C9H12N (134)	d
C10H16N (150)	C10H13 (133)	c
C10H16N (150)	C8H12N (122)	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。

KOX00703p	150 C10H16N	134 C9H12N	133 C10H13	122 C8H12N	118 C8H8N	105 C8H9	103 C8H7	94 C6H8N	93 C6H7N	91 C7H7	79 C6H7	77 C6H5
150 C10H16N
134 C9H12N	CH4
133 C10H13	H3N
122 C8H12N	C2H4	C
118 C8H8N	C2H8	CH4		H4
105 C8H9	C2H7N	CH3N	C2H4	H3N
103 C8H7	C2H9N	CH5N	C2H6	H5N	HN	H2
94 C6H8N	C4H8	C3H4		C2H4	C2
93 C6H7N	C4H9	C3H5		C2H5	C2H			H
91 C7H7	C3H9N	C2H5N	C3H6	CH5N	CHN	CH2	C
79 C6H7	C4H9N	C3H5N	C4H6	C2H5N	C2HN	C2H2	C2	HN	N	C
77 C6H5	C4H11N	C3H7N	C4H8	C2H7N	C2H3N	C2H4	C2H2	H3N	H2N	CH2	H2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)