Ojima:KO008819p

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
A140+ Score:59.21 M076+ Score:27.65 H013+ Score:18.69 M022+ Score:15.69 M077+ Score:15.69 Z001+ Score:6.23 D183+ Score:5.72 H073+ Score:5.72 P035+ Score:5.53 P105+ Score:4.44	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 C10H17N4O3:   A140+  H013+   Pages Related to Peak C10H14N3O3:   A140+  H013+   Pages Related to Peak C9H14N3O3:   A140+  Z001+   Pages Related to Peak C9H17N4O:   A140+   Pages Related to Peak C9H14N3O:   A140+  H013+   Pages Related to Peak C7H12N3O2:   A140+  D183+  M076+  M077+   Pages Related to Peak C7H9N2O2:   A140+  M076+   Pages Related to Peak C6H12N3:   A140+  H073+  M076+  M022+   Pages Related to Peak C6H9N2:   A140+  M076+  M077+  P035+  M022+   Pages Related to Peak C5H9N2:   A032+  A140+  C013+  E011+  E015+  H002+  L006+  O009+  R041+  A069+  A104+  B026+  H069+  M076+  M077+  P105+  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。

KO008819p	241 C10H17N4O3	224 C10H14N3O3	212 C9H14N3O3	197 C9H17N4O	180 C9H14N3O	170 C7H12N3O2	153 C7H9N2O2	126 C6H12N3	109 C6H9N2	97 C5H9N2
241 C10H17N4O3
224 C10H14N3O3	H3N
212 C9H14N3O3	CH3N	C
197 C9H17N4O	CO2
180 C9H14N3O	CH3NO2	CO2	O2	H3N
170 C7H12N3O2	C3H5NO	C3H2O	C2H2O
153 C7H9N2O2	C3H8N2O	C3H5NO	C2H5NO			H3N
126 C6H12N3	C4H5NO3	C4H2O3	C3H2O3	C3H5NO	C3H2O	CO2
109 C6H9N2	C4H8N2O3	C4H5NO3	C3H5NO3	C3H8N2O	C3H5NO	CH3NO2	CO2	H3N
97 C5H9N2	C5H8N2O3	C5H5NO3	C4H5NO3	C4H8N2O	C4H5NO	C2H3NO2	C2O2	CH3N	C

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