Ojima:KO008933p

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
D185+ Score:43.1 D046+ Score:23.59 T032+ Score:17.65 E013+ Score:13.36 M169+ Score:13.09 S058+ Score:12.11 P070+ Score:12.11 A137+ Score:12.11 T002+ Score:12.11 E033+ Score:12.11	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 C18H24NO3:   D185+   Pages Related to Peak C10H16NO:   D185+   Pages Related to Peak C8H12NO2:   D046+  C043+  D185+   Pages Related to Peak C10H13O:   G075+  D185+   Pages Related to Peak C8H9O2:   D046+  D185+  E013+  M169+  T032+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C7H7O:   C063+  D046+  D056+  E033+  I050+  P059+  T002+  A137+  D185+  E007+  M167+  M169+  N028+  P070+  S058+  T032+  T033+  T041+  T126+  V021+   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。

KO008933p	302 C18H24NO3	166 C10H16NO	154 C8H12NO2	149 C10H13O	137 C8H9O2	119 C8H7O	107 C7H7O	91 C7H7
302 C18H24NO3
166 C10H16NO	C8H8O2
154 C8H12NO2	C10H12O
149 C10H13O	C8H11NO2	H3N
137 C8H9O2	C10H15NO		H3N
119 C8H7O	C10H17NO2	C2H9N	H5NO	C2H6	H2O
107 C7H7O	C11H17NO2	C3H9N	CH5NO	C3H6	CH2O	C
91 C7H7	C11H17NO3	C3H9NO	CH5NO2	C3H6O	CH2O2	CO	O

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