Ojima:KNA00087p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px

IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
C012+ Score:30.43 H013+ Score:24.71 H002+ Score:24.71 A073+ Score:24.71 U011+ Score:15.86 T027+ Score:15.25 C028+ Score:15.25 I066+ Score:10.97 G117+ Score:9.53 M077+ Score:8.67	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 C6H10N3O2:   A073+  C012+  H002+  H013+  [[Ojima:TestData_Bensulfuron-methyl|]]   Pages Related to Peak C6H7N2O2:   N012+  U011+   Pages Related to Peak C6H8N3O:   C012+  I066+  C028+  T027+   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+   Pages Related to Peak C5H5N2:   A073+  C012+  H002+  H013+  I066+  U011+  D183+   Pages Related to Peak C4H7N2:   A073+  A093+  A140+  C012+  D131+  E011+  G117+  H002+  H013+  C028+  E007+  H058+  H069+  I053+  M029+  M076+  M077+  M124+  P084+  T027+

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。

KNA00087p	156 C6H10N3O2	139 C6H7N2O2	138 C6H8N3O	110 C5H8N3	95 C5H7N2	93 C5H5N2	83 C4H7N2
156 C6H10N3O2
139 C6H7N2O2	H3N
138 C6H8N3O	H2O
110 C5H8N3	CH2O2		CO
95 C5H7N2	CH3NO2	CO2	CHNO	HN
93 C5H5N2	CH5NO2	CH2O2	CH3NO	H3N	H2
83 C4H7N2	C2H3NO2	C2O2	C2HNO	CHN	C

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)