MassBank:KOX00118p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Benzimidazole

IDs and Links
MassBank	Benzimidazole
CAS	51-17-2
Keio ID	B007+

Top 10 Similar Molecules of Benzimidazole

Ranking	About scoring
KOX00840p Score:19.76 KOX00831p Score:19.55 KOX00371p Score:19.07 KOX00032p Score:17.56 KOX00886p Score:15.98 KOX00789p Score:15.98 KOX00673p Score:15.98 KOX00231p Score:15.98 KOX00221p Score:15.98 KOX00034p 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
C7H7N2 (119)	C7H4N (102)	c
C7H7N2 (119)	C6H7N (93)	a,rad.
C7H7N2 (119)	C6H6N (92)	a
C7H7N2 (119)	C6H5 (77)	b
C7H7N2 (119)	C5H5 (65)	d
C7H7N2 (119)	C4H3 (51)	e

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。

KOX00118p	119 C7H7N2	102 C7H4N	93 C6H7N	92 C6H6N	77 C6H5	65 C5H5	54 C3H4N	52 C3H2N	51 C4H3
119 C7H7N2
102 C7H4N	H3N
93 C6H7N	CN
92 C6H6N	CHN		H
77 C6H5	CH2N2		H2N	HN
65 C5H5	C2H2N2		CH2N	CHN	C
54 C3H4N	C4H3N	C4	C3H3	C3H2
52 C3H2N	C4H5N	C4H2	C3H5	C3H4			H2
51 C4H3	C3H4N2	C3HN	C2H4N	C2H3N	C2H2	CH2

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