Ojima:KOX00722p

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Ion Frequency

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Dobutamine

IDs and Links
MassBank	Dobutamine
CAS	34368-04-2
Keio ID	D185+

Top 10 Similar Molecules of Dobutamine

Ranking	About scoring
D185+ Score:48.12 D046+ Score:29.13 E013+ Score:24.62 T032+ Score:23.18 P059+ Score:18.81 S058+ Score:17.64 T002+ Score:17.64 E033+ Score:17.64 M169+ Score:15.75 N028+ Score:15.54	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 C10H16NO:   D185+   Pages Related to Peak C8H12NO2:   D046+  C043+  D185+   Pages Related to Peak C8H9O2:   D046+  D185+  E013+  M169+  T032+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C7H9O:   P059+  D185+  E013+  N028+   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 C6H13:   H024+   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 C5H11:   I039+  O007+   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+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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。

KOX00722p	302 C18H24NO3	166 C10H16NO	154 C8H12NO2	137 C8H9O2	119 C8H7O	109 C7H9O	107 C7H7O	91 C7H7	85 C6H13	77 C6H5	71 C5H11	65 C5H5	58 C3H8N	57 C4H9
302 C18H24NO3
166 C10H16NO	C8H8O2
154 C8H12NO2	C10H12O
137 C8H9O2	C10H15NO		H3N
119 C8H7O	C10H17NO2	C2H9N	H5NO	H2O
109 C7H9O	C11H15NO2	C3H7N	CH3NO	CO
107 C7H7O	C11H17NO2	C3H9N	CH5NO	CH2O	C	H2
91 C7H7	C11H17NO3	C3H9NO	CH5NO2	CH2O2	CO	H2O	O
85 C6H13	C12H11NO3	C4H3NO
77 C6H5	C12H19NO3	C4H11NO	C2H7NO2	C2H4O2	C2H2O	CH4O	CH2O	CH2	H8
71 C5H11	C13H13NO3	C5H5NO	C3HNO2						CH2
65 C5H5	C13H19NO3	C5H11NO	C3H7NO2	C3H4O2	C3H2O	C2H4O	C2H2O	C2H2	CH8	C	H6
58 C3H8N	C15H16O3	C7H8O	C5H4O2
57 C4H9	C14H15NO3	C6H7NO	C4H3NO2	C4O2		C3O			C2H4		CH2

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