Ojima:COX00063p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ormetoprim

IDs and Links
MassBank	Ormetoprim
CAS
Keio ID

Top 10 Similar Molecules of Ormetoprim

Ranking	About scoring
T033+ Score:9.61 M030+ Score:9.61 M110+ Score:5.94 P042+ Score:3.66 M022+ Score:3.66 X012+ Score:3.66 T027+ Score:3.66 P098+ Score:3.66 M126+ Score:3.66 M077+ Score:3.66	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 C5H7N4:   M030+  M110+  T033+   Pages Related to Peak C4H5N2:   A073+  A093+  A140+  A237+  C012+  C077+  D055+  D131+  H002+  H013+  M035+  M042+  M074+  P075+  T014+  T015+  T029+  T056+  T057+  C028+  D183+  H025+  H058+  H069+  I014+  I053+  M029+  M030+  M033+  M076+  M077+  M126+  P098+  T027+  T033+  X012+  M022+  P042+

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。

COX00063p	275 C14H19N4O2	260 C13H16N4O2	259 C13H15N4O2	231 C12H15N4O	123 C5H7N4	81 C4H5N2
275 C14H19N4O2
260 C13H16N4O2	CH3
259 C13H15N4O2	CH4	H
231 C12H15N4O	C2H4O	CHO	CO
123 C5H7N4	C9H12O2	C8H9O2	C8H8O2	C7H8O
81 C4H5N2	C10H14N2O2	C9H11N2O2	C9H10N2O2	C8H10N2O	CH2N2

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