Ojima:KO008864p

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
H045+ Score:26.09 A080+ Score:26.09 T024+ Score:14.14 T008+ Score:8.2 L031+ Score:8.2 A061+ Score:8.2 P002+ Score:8.2 B018+ Score:8.2 A067+ Score:8.2 V021+ Score:5.72	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 C17H24NO3:   A080+  H045+   Pages Related to Peak C16H22NO2:   A080+  H045+  P192+  V021+   Pages Related to Peak C8H14N:   A080+  H045+  T024+   Pages Related to Peak C7H9:   A067+  B018+  G075+  P002+  A061+  A080+  H045+  L031+  T008+  T024+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

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。

KO008864p	290 C17H24NO3	260 C16H22NO2	124 C8H14N	93 C7H9	91 C7H7
290 C17H24NO3
260 C16H22NO2	CH2O
124 C8H14N	C9H10O3	C8H8O2
93 C7H9	C10H15NO3	C9H13NO2	CH5N
91 C7H7	C10H17NO3	C9H15NO2	CH7N	H2

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