Ojima:COX00031p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Drofenine

IDs and Links
MassBank	Drofenine
CAS
Keio ID

Top 10 Similar Molecules of Drofenine

Ranking	About scoring
F016+ Score:13.76 G075+ Score:12.36 M169+ Score:8.03 M167+ Score:8.03 D039+ Score:8.03 S013+ Score:8.03 P190+ Score:5.72 M099+ Score:5.72 M039+ Score:5.72 D078+ 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 C13H17:   G075+   Pages Related to Peak C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   Pages Related to Peak C6H14N:   A196+  C114+  M099+  P190+   Pages Related to Peak C7H11:   G075+  D078+  F016+  M039+   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+

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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。

COX00031p	318 C20H32NO2	245 C16H21O2	173 C13H17	163 C10H11O2	105 C8H9	100 C6H14N	95 C7H11	91 C7H7
318 C20H32NO2
245 C16H21O2	C4H11N
173 C13H17	C7H15NO2	C3H4O2
163 C10H11O2	C10H21N	C6H10
105 C8H9	C12H23NO2	C8H12O2	C5H8	C2H2O2
100 C6H14N	C14H18O2
95 C7H11	C13H21NO2	C9H10O2	C6H6	C3O2
91 C7H7	C13H25NO2	C9H14O2	C6H10	C3H4O2	CH2		H4

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