Ojima:KOX00834p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Primidone

IDs and Links
MassBank	Primidone
CAS	125-33-7
Keio ID	P061+

Top 10 Similar Molecules of Primidone

Ranking	About scoring
P061+ Score:36.12 E007+ Score:17.16 A067+ Score:15.22 A226+ Score:14.71 M103+ Score:12.72 M053+ Score:12.72 M040+ Score:12.72 B026+ Score:11.1 M169+ Score:8.99 D039+ Score:8.99	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 C12H15N2O2:   A226+  B026+  E007+  P061+   Pages Related to Peak C11H12NO2:   A067+  P061+   Pages Related to Peak C11H12NO:   H027+  M040+  M053+  B026+  M103+  P061+   Pages Related to Peak C10H12NO:   A067+  E007+  M169+  P061+   Pages Related to Peak C9H12N:   A226+  D039+  E007+  P061+   Pages Related to Peak C7H8N:   E012+  I050+  M040+  M053+  M127+  P014+  P053+  P113+  T054+  A035+  A036+  A068+  D032+  D178+  D180+  M101+  M103+  M111+  M172+  N016+  P061+  P206+  S041+  T031+  N044+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

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。

KOX00834p	219 C12H15N2O2	190 C11H12NO2	174 C11H12NO	162 C10H12NO	134 C9H12N	106 C7H8N	91 C7H7
219 C12H15N2O2
190 C11H12NO2	CH3N
174 C11H12NO	CH3NO	O
162 C10H12NO	C2H3NO	CO	C
134 C9H12N	C3H3NO2	C2O2	C2O	CO
106 C7H8N	C5H7NO2	C4H4O2	C4H4O	C3H4O	C2H4
91 C7H7	C5H8N2O2	C4H5NO2	C4H5NO	C3H5NO	C2H5N	HN

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