Ojima:KO009090p

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
B018+ Score:27.89 N016+ Score:8.89 P002+ Score:8.89 A067+ Score:8.89 B026+ Score:5.72 A143+ Score:5.72 A103+ Score:5.72 P206+ Score:4.93 M111+ Score:4.93 D087+ Score:4.93	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 C16H25N2O4:   B018+   Pages Related to Peak C15H23N2O2:   B018+   Pages Related to Peak C7H14NO2:   B018+  A103+  A143+  B026+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+   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+

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。

KO009090p	309 C16H25N2O4	291 C16H23N2O3	263 C15H23N2O2	144 C7H14NO2	120 C8H10N	103 C8H7
309 C16H25N2O4
291 C16H23N2O3	H2O
263 C15H23N2O2	CH2O2	CO
144 C7H14NO2	C9H11NO2	C9H9NO	C8H9N
120 C8H10N	C8H15NO4	C8H13NO3	C7H13NO2
103 C8H7	C8H18N2O4	C8H16N2O3	C7H16N2O2		H3N

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