Ojima:KO008829p

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
A220+ Score:21.92 S016+ Score:15.28 S079+ Score:15.28 G021+ Score:5.53 B093+ Score:5.53 T060+ Score:3.8 T028+ Score:3.8 P190+ Score:3.8 P183+ Score:3.8 P079+ Score:3.8	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 C12H13N2O2S:   A220+   Pages Related to Peak C6H6NO2S:   A220+  S079+  S016+   Pages Related to Peak C6H6NO:   A220+  B093+  S079+  G021+  S016+   Pages Related to Peak C6H6N:   A010+  A042+  A043+  A220+  B007+  B072+  D166+  E012+  G101+  I019+  N012+  S079+  U011+  A068+  A114+  B011+  C170+  D032+  D044+  H050+  K004+  M063+  M066+  P035+  P036+  P047+  P056+  P079+  P183+  P190+  S016+  T028+  T060+

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。

KO008829p	249 C12H13N2O2S	156 C6H6NO2S	108 C6H6NO	92 C6H6N
249 C12H13N2O2S
156 C6H6NO2S	C6H7N
108 C6H6NO	C6H7NOS	OS
92 C6H6N	C6H7NO2S	O2S	O

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