Ojima:PR100868n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1,3-Dimethylurate

IDs and Links
MassBank	1,3-Dimethylurate
CAS	944-73-0
Keio ID

Top 10 Similar Molecules of 1,3-Dimethylurate

Ranking	About scoring
A103+ Score:6.23 A237+ Score:6.23 P157+ Score:5.03 M042+ Score:5.03 H014+ Score:5.03 G088+ Score:5.03 G015+ Score:5.03 D057+ Score:5.03 A136+ Score:5.03 A133+ Score:5.03	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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Page list for each fragment
Pages Related to Peak C4H4N3O:   A071+  A133+  A136+  D057+  G015+  G088+  H014+  M042+  P157+   Pages Related to Peak C3H3N2O:   A237+  A103+

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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。

PR100868n	195 C7H7N4O3	180 C6H4N4O3	138 C5H4N3O2	137 C5H3N3O2	123 C6H3O3	110 C4H4N3O	83 C3H3N2O	68 C2N2O
195 C7H7N4O3
180 C6H4N4O3	CH3
138 C5H4N3O2	C2H3NO	CNO
137 C5H3N3O2	C2H4NO	CHNO	H
123 C6H3O3	CH4N4	HN4
110 C4H4N3O	C3H3NO2	C2NO2	CO
83 C3H3N2O	C4H4N2O2	C3HN2O2	C2HNO	C2NO		CHN
68 C2N2O	C5H7N2O2	C4H4N2O2	C3H4NO	C3H3NO		C2H4N	CH3

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