Ojima:COX00048p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isoxsuprine

IDs and Links
MassBank	Isoxsuprine
CAS
Keio ID

Top 10 Similar Molecules of Isoxsuprine

Ranking	About scoring
M167+ Score:26.71 V021+ Score:14.77 B018+ Score:13.76 D185+ Score:13.58 T041+ Score:12.94 S058+ Score:12.32 P059+ Score:12.32 T002+ Score:12.19 M169+ Score:11.71 P047+ Score:11.32	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 C9H12NO:   B018+  P059+  P075+  M167+  N063+  S058+   Pages Related to Peak C9H9O:   B018+  M078+  M167+  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 C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   Pages Related to Peak C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   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+

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。

COX00048p	302 C18H24NO3	284 C18H22NO2	150 C9H12NO	133 C9H9O	107 C7H7O	105 C8H9	95 C6H7O	79 C6H7	77 C6H5
302 C18H24NO3
284 C18H22NO2	H2O
150 C9H12NO	C9H12O2	C9H10O
133 C9H9O	C9H15NO2	C9H13NO	H3N
107 C7H7O	C11H17NO2	C11H15NO	C2H5N	C2H2
105 C8H9	C10H15NO3	C10H13NO2	CH3NO	CO
95 C6H7O	C12H17NO2	C12H15NO	C3H5N	C3H2	C
79 C6H7	C12H17NO3	C12H15NO2	C3H5NO	C3H2O	CO	C2H2	O
77 C6H5	C12H19NO3	C12H17NO2	C3H7NO	C3H4O	CH2O	C2H4	H2O	H2

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