Ojima:MT000036p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
A143+ Score:26.95 G051+ Score:9.57 G046+ Score:9.57 M080+ Score:9.57 G020+ Score:9.57 C041+ Score:9.06 B026+ Score:5.72 A103+ Score:5.72 B018+ Score:5.72 P074+ 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 C9H18NO4:   A143+   Pages Related to Peak C6H9O4:   G020+  M080+  A143+  G046+  G051+   Pages Related to Peak C7H14NO2:   B018+  A103+  A143+  B026+   Pages Related to Peak C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+   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。

MT000036p	204 C9H18NO4	145 C6H9O4	144 C7H14NO2	85 C4H5O2	60 C3H10N
204 C9H18NO4
145 C6H9O4	C3H9N
144 C7H14NO2	C2H4O2
85 C4H5O2	C5H13NO2	C2H4O2	C3H9N
60 C3H10N	C6H8O4		C4H4O2

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