Ojima:PR100404p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Choline

IDs and Links
MassBank	Choline
CAS	62-49-7
Keio ID

Top 10 Similar Molecules of Choline

Ranking	About scoring
P074+ Score:10.97 G069+ Score:10.97 C044+ Score:10.97 C220+ Score:5.02 C041+ Score:5.02 A143+ Score:5.02 A060+ Score:5.02 T020+ Score:5.02 A048+ Score:5.02	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 C5H14NO:   C044+  G069+  P074+   Pages Related to Peak C3H10N:   A048+  T020+  A060+  A143+  C041+  C044+  C220+  G069+  P074+

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。

PR100404p	104 C5H14NO	60 C3H10N
104 C5H14NO
60 C3H10N	C2H4O

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)