MassBank:KOX00302p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Guanidinobenzimidazole

IDs and Links
MassBank	2-Guanidinobenzimidazole
CAS	5418-95-1
Keio ID	G101+

Top 10 Similar Molecules of 2-Guanidinobenzimidazole

Ranking	About scoring
KOX00032p Score:45.56 KOX00693p Score:31.36 KOX00788p Score:21.69 KOX00840p Score:21.6 KOX00853p Score:19.98 KOX00809p Score:19.44 KOX00221p Score:19.34 KOX00863p Score:17.99 KOX00912p Score:17.85 KOX00811p Score:17.85	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
C8H10N5 (176)	C8H7N4 (159)	c
C8H10N5 (176)	C7H8N3 (134)	b
C8H10N5 (176)	C7H6N3 (132)	b
C8H10N5 (176)	C7H5N2 (117)	d
C8H10N5 (176)	C6H7N2 (107)	e
C8H10N5 (176)	C6H5N2 (105)	e
C8H10N5 (176)	C6H8N (94)	a
C8H10N5 (176)	C6H7N (93)	a,rad.
C8H10N5 (176)	C6H6N (92)	a
C8H10N5 (176)	C6H4N (90)	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。

KOX00302p	176 C8H10N5	159 C8H7N4	134 C7H8N3	132 C7H6N3	117 C7H5N2	107 C6H7N2	105 C6H5N2	94 C6H8N	93 C6H7N	92 C6H6N	90 C6H4N	80 C5H6N	65 C5H5	53 C4H5	52 C3H2N
176 C8H10N5
159 C8H7N4	H3N
134 C7H8N3	CH2N2
132 C7H6N3	CH4N2	CHN	H2
117 C7H5N2	CH5N3	CH2N2	H3N	HN
107 C6H7N2	C2H3N3	C2N2	CHN
105 C6H5N2	C2H5N3	C2H2N2	CH3N	CHN	C	H2
94 C6H8N	C2H2N4		CN2
93 C6H7N	C2H3N4	C2N3	CHN2			N		H
92 C6H6N	C2H4N4	C2HN3	CH2N2	CN2		HN		H2	H
90 C6H4N	C2H6N4	C2H3N3	CH4N2	CH2N2	CHN	H3N	HN	H4	H3	H2
80 C5H6N	C3H4N4	C3HN3	C2H2N2	C2N2		CHN		CH2	CH	C
65 C5H5	C3H5N5	C3H2N4	C2H3N3	C2HN3	C2N2	CH2N2	CN2	CH3N	CH2N	CHN		HN
53 C4H5	C4H5N5	C4H2N4	C3H3N3	C3HN3	C3N2	C2H2N2	C2N2	C2H3N	C2H2N	C2HN		CHN	C
52 C3H2N	C5H8N4	C5H5N3	C4H6N2	C4H4N2	C4H3N	C3H5N	C3H3N	C3H6	C3H5	C3H4	C3H2	C2H4

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