Ojima:KO008994p

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
H027+ Score:28.89 B093+ Score:6.23 P061+ Score:5.38 M103+ Score:5.38 B026+ Score:5.38 M053+ Score:5.38 M040+ Score:5.38 M022+ Score:3.99 T061+ Score:3.99 M077+ Score:3.99	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 C13H15N2O:   H027+   Pages Related to Peak C12H12N2O:   H027+   Pages Related to Peak C13H12NO:   B093+  H027+   Pages Related to Peak C11H12NO:   H027+  M040+  M053+  B026+  M103+  P061+   Pages Related to Peak C4H6N:   A050+  A065+  A073+  A093+  A140+  C012+  C013+  D131+  E011+  H002+  H013+  H027+  H048+  P003+  P048+  R016+  A052+  A194+  D033+  H004+  H058+  H069+  I017+  M076+  M077+  T061+  M022+

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。

./lua: /tmp/mw_ex_lua_T7FSK5:33: attempt to compare number with nil Illegal ion order (check mass!): H175 < C11H12NO
Illegal ion order (check mass!): H148 < C4H6N

KO008994p	215 C13H15N2O	200 C12H12N2O	198 C13H12NO	17 H175	174 C11H12NO	14 H148	68 C4H6N
215 C13H15N2O
200 C12H12N2O	CH3
198 C13H12NO	H3N
17 H175
174 C11H12NO	C2H3N	CN	C2
14 H148 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)