Ojima:KNA00508n

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
T054+ Score:11.26 T003+ Score:9.47 S041+ Score:5.72 A123+ Score:5.72 A036+ Score:5.72 A035+ Score:5.72 M127+ Score:5.72 M053+ Score:5.72 H029+ Score:5.72 C172+ Score:5.53	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 C10H11N2:   P122+  T003+  T054+  A069+  C172+   Pages Related to Peak C10H8N:   H029+  M053+  T054+  S041+   Pages Related to Peak C8H6N:   M127+  A035+  A036+  A123+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+

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。

KNA00508n	203 C11H11N2O2	186 C11H8NO2	159 C10H11N2	142 C10H8N	116 C8H6N	74 C2H4NO2
203 C11H11N2O2
186 C11H8NO2	H3N
159 C10H11N2	CO2
142 C10H8N	CH3NO2	CO2	H3N
116 C8H6N	C3H5NO2	C3H2O2	C2H5N	C2H2
74 C2H4NO2	C9H7N	C9H4

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