Ojima:PR100406p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Kynurenic acid

IDs and Links
MassBank	Kynurenic acid
CAS	492-27-3
Keio ID

Top 10 Similar Molecules of Kynurenic acid

Ranking	About scoring
H050+ Score:19.91 A036+ Score:9.79 A035+ Score:9.79 A123+ Score:5.72 M127+ Score:5.72 N044+ Score:4.07 T031+ Score:4.07 S041+ Score:4.07 N016+ Score:4.07 M103+ Score:4.07	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 C10H8NO3:   H050+   Pages Related to Peak C10H6NO2:   H050+   Pages Related to Peak C9H8NO2:   H050+   Pages Related to Peak C8H6N:   M127+  A035+  A036+  A123+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  N044+

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。

PR100406p	190 C10H8NO3	172 C10H6NO2	162 C9H8NO2	144 C9H6NO	116 C8H6N	89 C7H5
190 C10H8NO3
172 C10H6NO2	H2O
162 C9H8NO2	CO
144 C9H6NO	CH2O2	CO	H2O
116 C8H6N	C2H2O3	C2O2	CH2O2	CO
89 C7H5	C3H3NO3	C3HNO2	C2H3NO2	C2HNO	CHN

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