Ojima:MT000058n

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
P157+ Score:6.63 T032+ Score:6.23 S041+ Score:6.23 P191+ Score:6.23 P190+ Score:6.23 A069+ Score:6.23 T002+ Score:6.23 T031+ Score:3.96 T030+ Score:3.96 T008+ Score:3.96	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 C10H13N2O:   A069+  S041+   Pages Related to Peak C9H10NO2:   P190+  P191+   Pages Related to Peak C9H7O2:   T002+  T032+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C2H5N2O:   P157+

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。

MT000058n	221 C11H13N2O3	203 C11H11N2O2	177 C10H13N2O	164 C9H10NO2	147 C9H7O2	103 C8H7	73 C2H5N2O
221 C11H13N2O3
203 C11H11N2O2	H2O
177 C10H13N2O	CO2
164 C9H10NO2	C2H3NO	C2HN
147 C9H7O2	C2H6N2O	C2H4N2		H3N
103 C8H7	C3H6N2O3	C3H4N2O2	C2H6N2O	CH3NO2	CO2
73 C2H5N2O	C9H8O2	C9H6O	C8H8

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

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