Ojima:PR100413p

General Index

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
D055+ Score:14.13 C119+ Score:14.13 Z001+ Score:10.06 C033+ Score:10.06 M110+ Score:9.79 T027+ Score:8.41 M030+ Score:8.41 C028+ Score:8.41 M043+ Score:8.41 M042+ Score:8.41	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。

Links

Page list for each fragment

Pages Related to Peak C4H6N3O:   C033+  C119+  D055+  Z001+   Pages Related to Peak C3H5N2:   A133+  A237+  C033+  C119+  D055+  H014+  M042+  M043+  T029+  Z001+  C028+  D183+  H025+  I046+  M030+  P084+  P095+  T027+  T123+   Pages Related to Peak C3H3N2:   A007+  A071+  A136+  A237+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  Z002+  C028+  D067+  D069+  D082+  M030+  M110+  M124+  P049+  P081+  T027+   Pages Related to Peak C2H5N2:   A045+  C208+  M110+  A166+

Annotations

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。

PR100413p	197 C7H9N4O3	169 C6H9N4O2	152 C6H6N3O2	142 C5H8N3O2	140 C5H6N3O2	112 C4H6N3O	69 C3H5N2	67 C3H3N2	57 C2H5N2
197 C7H9N4O3
169 C6H9N4O2	CO
152 C6H6N3O2	CH3NO	H3N
142 C5H8N3O2	C2HNO	CHN
140 C5H6N3O2	C2H3NO	CH3N	C	H2
112 C4H6N3O	C3H3NO2	C2H3NO	C2O	CH2O	CO
69 C3H5N2	C4H4N2O3	C3H4N2O2	C3HNO2	C2H3NO2	C2HNO2	CHNO
67 C3H3N2	C4H6N2O3	C3H6N2O2	C3H3NO2	C2H5NO2	C2H3NO2	CH3NO	H2
57 C2H5N2	C5H4N2O3	C4H4N2O2	C4HNO2	C3H3NO2	C3HNO2	C2HNO	C

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