MassBank:KOX00081p

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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5-Amino-4-imidazolecarboxamide

IDs and Links
MassBank	5-Amino-4-imidazolecarboxamide
CAS
Keio ID	A136+

Top 10 Similar Molecules of 5-Amino-4-imidazolecarboxamide

Ranking	About scoring
KOX00315p Score:18.52 KOX00077p Score:15.66 KOX00266p Score:14.41 KOX00780p Score:13.39 KOX00443p Score:13.39 KOX00427p Score:13.14 KOX00054p Score:13.14 KOX00787p Score:9.28 KOX00181p Score:9.28 KOX00799p Score:8	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
C4H7N4O (127)	C4H4N3O (110)	-NH3
C4H7N4O (127)	C3H4N3 (82)	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。

KOX00081p	127 C4H7N4O	110 C4H4N3O	82 C3H4N3	67 C3H3N2	55 C2H3N2
127 C4H7N4O
110 C4H4N3O	H3N
82 C3H4N3	CH3NO	CO
67 C3H3N2	CH4N2O	CHNO	HN
55 C2H3N2	C2H4N2O	C2HNO	CHN	C

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