Ojima:COX00016p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Betaxolol

IDs and Links
MassBank	Betaxolol
CAS
Keio ID

Top 10 Similar Molecules of Betaxolol

Ranking	About scoring
P192+ Score:23.26 V021+ Score:17.12 I063+ Score:15.45 O016+ Score:15.44 B018+ Score:13.84 M167+ Score:13.76 O009+ Score:12.47 T024+ Score:11.38 F016+ Score:11.3 S013+ Score:11.3	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 C11H13O2:   V021+   Pages Related to Peak C9H9O:   B018+  M078+  M167+  V021+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+   Pages Related to Peak C6H14NO:   O016+  P192+   Pages Related to Peak C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   Pages Related to Peak C6H12N:   O009+  B040+  D075+  I063+  O016+  P192+  T024+  T061+   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 C3H8NO:   B018+  G018+  M003+  T010+  T020+  A046+  A194+  H003+  M025+  P192+  T098+   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 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 C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  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。

COX00016p	308 C18H30NO3	177 C11H13O2	159 C11H11O	133 C9H9O	121 C8H9O	116 C6H14NO	105 C8H9	98 C6H12N	91 C7H7	74 C3H8NO	72 C4H10N	56 C3H6N	55 C4H7
308 C18H30NO3
177 C11H13O2	C7H17NO
159 C11H11O	C7H19NO2	H2O
133 C9H9O	C9H21NO2	C2H4O	C2H2
121 C8H9O	C10H21NO2	C3H4O	C3H2	C
116 C6H14NO	C12H16O2
105 C8H9	C10H21NO3	C3H4O2	C3H2O	CO	O
98 C6H12N	C12H18O3					H2O
91 C7H7	C11H23NO3	C4H6O2	C4H4O	C2H2O	CH2O		CH2
74 C3H8NO	C15H22O2					C3H6
72 C4H10N	C14H20O3					C2H4O		C2H2
56 C3H6N	C15H24O3					C3H8O		C3H6		H2O	CH4
55 C4H7	C14H23NO3	C7H6O2	C7H4O	C5H2O	C4H2O	C2H7NO	C4H2	C2H5N	C3		H3N

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