Ojima:KOX00236p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Epinephrine

IDs and Links
MassBank	Epinephrine
CAS	51-43-4
Keio ID	E033+

Top 10 Similar Molecules of Epinephrine

Ranking	About scoring
E033+ Score:60.54 N028+ Score:24.55 P002+ Score:23.51 A067+ Score:20.47 T041+ Score:19.54 T002+ Score:18.79 M169+ Score:18.72 M167+ Score:17.14 D087+ Score:16.87 P059+ Score:16.22	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 C9H14NO3:   E033+  P032+   Pages Related to Peak C9H12NO2:   A067+  E033+  P002+  B011+   Pages Related to Peak C8H9NO2:   E033+   Pages Related to Peak C9H10NO:   E033+  T041+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C8H7NO:   D056+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+   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+   Pages Related to Peak C6H7:   A053+  A067+  B020+  C063+  E012+  E033+  M127+  P002+  P113+  A035+  A061+  B009+  B090+  D032+  D039+  D178+  D180+  E013+  L031+  M039+  M082+  M167+  N028+  P047+  P061+  S040+  T041+  T060+  T126+  A082+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+   Pages Related to Peak C3H7N:   A189+  I008+  D036+  M126+  T024+  T061+  H024+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  M022+   Pages Related to Peak C4H3:   A010+  A043+  A050+  A130+  B007+  D046+  D166+  E012+  E033+  H015+  H029+  H139+  I019+  I022+  I030+  I038+  M127+  N004+  N018+  P002+  P033+  P053+  P059+  T002+  X004+  A036+  A054+  A061+  A224+  B004+  B009+  B011+  B013+  C089+  C172+  D032+  D087+  D178+  D180+  E013+  F013+  G041+  H021+  H112+  I017+  I051+  I067+  M063+  M066+  M071+  M101+  M167+  M172+  N001+  N016+  N028+  P041+  P045+  P047+  P056+  P057+  P079+  P099+  Q001+  Q008+  S041+  S058+  T008+  T031+  T060+  D030+  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。

KOX00236p	184 C9H14NO3	166 C9H12NO2	151 C8H9NO2	148 C9H10NO	135 C8H7O2	133 C8H7NO	123 C7H7O2	120 C8H10N	107 C7H7O	91 C7H7	79 C6H7	77 C6H5	57 C3H7N	56 C3H6N	51 C4H3
184 C9H14NO3
166 C9H12NO2	H2O
151 C8H9NO2	CH5O	CH3
148 C9H10NO	H4O2	H2O
135 C8H7O2	CH7NO	CH5N	H2N
133 C8H7NO	CH7O2	CH5O	H2O	CH3
123 C7H7O2	C2H7NO	C2H5N	CH2N		C
120 C8H10N	CH4O3	CH2O2		CO
107 C7H7O	C2H7NO2	C2H5NO	CH2NO	C2H3N	CO	CN	O
91 C7H7	C2H7NO3	C2H5NO2	CH2NO2	C2H3NO	CO2	CNO	O2	CH3N	O
79 C6H7	C3H7NO3	C3H5NO2	C2H2NO2	C3H3NO	C2O2	C2NO	CO2	C2H3N	CO	C
77 C6H5	C3H9NO3	C3H7NO2	C2H4NO2	C3H5NO	C2H2O2	C2H2NO	CH2O2	C2H5N	CH2O	CH2	H2
57 C3H7N	C6H7O3	C6H5O2	C5H2O2	C6H3O		C5O		C5H3
56 C3H6N	C6H8O3	C6H6O2	C5H3O2	C6H4O		C5HO		C5H4					H
51 C4H3	C5H11NO3	C5H9NO2	C4H6NO2	C5H7NO	C4H4O2	C4H4NO	C3H4O2	C4H7N	C3H4O	C3H4	C2H4	C2H2

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