MassBank:KOX00713p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5,6-Dimethylbenzimidazol

IDs and Links
MassBank	5,6-Dimethylbenzimidazol
CAS	582-60-5
Keio ID	D087+

Top 10 Similar Molecules of 5,6-Dimethylbenzimidazol

Ranking	About scoring
KOX00236p Score:27.49 KOX00809p Score:26.12 KOX00811p Score:21.22 KOX00359p Score:19.48 KOX00647p Score:18.79 KOX00485p Score:16.92 KOX00766p Score:16.43 KOX00878p Score:16.26 KOX00912p Score:16.19 KOX00840p Score:16.19	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
C9H11N2 (147)	C8H8N2 (132)	a,rad.
C9H11N2 (147)	C8H7N2 (131)	a
C9H11N2 (147)	C8H10N (120)	b

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。

KOX00713p	147 C9H11N2	132 C8H8N2	131 C8H7N2	120 C8H10N	104 C7H6N	94 C6H8N	91 C7H7	77 C6H5	65 C5H5	56 C3H6N	54 C3H4N	51 C4H3
147 C9H11N2
132 C8H8N2	CH3
131 C8H7N2	CH4	H
120 C8H10N	CHN
104 C7H6N	C2H5N	CH2N	CHN	CH4
94 C6H8N	C3H3N	C2N		C2H2
91 C7H7	C2H4N2	CHN2	CN2	CH3N
77 C6H5	C3H6N2	C2H3N2	C2H2N2	C2H5N	CHN	H3N	CH2
65 C5H5	C4H6N2	C3H3N2	C3H2N2	C3H5N	C2HN	CH3N	C2H2	C
56 C3H6N	C6H5N	C5H2N	C5HN	C5H4	C4	C3H2
54 C3H4N	C6H7N	C5H4N	C5H3N	C5H6	C4H2	C3H4				H2
51 C4H3	C5H8N2	C4H5N2	C4H4N2	C4H7N	C3H3N	C2H5N	C3H4	C2H2	CH2

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