Ojima:COX00093p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tetracaine

IDs and Links
MassBank	Tetracaine
CAS
Keio ID

Top 10 Similar Molecules of Tetracaine

Ranking	About scoring
P190+ Score:15.38 T060+ Score:11.3 P079+ Score:11.3 K004+ Score:11.3 B011+ Score:11.3 I019+ Score:11.3 B072+ Score:11.3 A043+ Score:11.3 A010+ Score:11.3 H050+ Score:8.42	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 C11H14NO:   E007+   Pages Related to Peak C7H6NO:   A010+  A043+  B072+  I019+  I050+  X004+  B011+  H050+  K004+  P079+  P190+  P191+  P209+  T060+   Pages Related to Peak C7H7N:   M053+   Pages Related to Peak C6H6N:   A010+  A042+  A043+  A220+  B007+  B072+  D166+  E012+  G101+  I019+  N012+  S079+  U011+  A068+  A114+  B011+  C170+  D032+  D044+  H050+  K004+  M063+  M066+  P035+  P036+  P047+  P056+  P079+  P183+  P190+  S016+  T028+  T060+   Pages Related to Peak C4H10N:   A032+  A039+  A135+  A189+  E015+  N009+  O009+  V001+  A051+  A069+  A104+  A111+  A112+  B001+  B026+  I063+  L057+  O005+  O016+  P105+  P190+  P192+  S003+  S011+  H024+   Pages Related to Peak C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  N044+

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。

COX00093p	265 C15H25N2O2	220 C13H18NO2	176 C11H14NO	120 C7H6NO	105 C7H7N	92 C6H6N	72 C4H10N	65 C5H5
265 C15H25N2O2
220 C13H18NO2	C2H7N
176 C11H14NO	C4H11NO	C2H4O
120 C7H6NO	C8H19NO	C6H12O	C4H8
105 C7H7N	C8H18NO2	C6H11O2	C4H7O
92 C6H6N	C9H19NO2	C7H12O2	C5H8O	CO	CH
72 C4H10N	C11H15NO2	C9H8O2	C7H4O
65 C5H5	C10H20N2O2	C8H13NO2	C6H9NO	C2HNO	C2H2N	CHN

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