Ojima:KOX00892p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Terbutaline

IDs and Links
MassBank	Terbutaline
CAS
Keio ID	T126+

Top 10 Similar Molecules of Terbutaline

Ranking	About scoring
T126+ Score:51.12 N028+ Score:33.46 E033+ Score:15.97 P053+ Score:13.91 T041+ Score:13.31 C063+ Score:13.31 M127+ Score:12.09 P113+ Score:10.93 M167+ Score:10.83 V021+ Score:9.41	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 C12H20NO3:   T126+   Pages Related to Peak C8H12NO3:   P053+  B026+  N028+  T126+   Pages Related to Peak C8H10NO2:   M127+  P053+  H050+  N028+  T126+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C7H9O2:   N028+  T126+   Pages Related to Peak C6H6O2:   T126+   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 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 C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

Annotations

Precursor	Product	Comments
C7H9O2 (125)	C6H6O2* (110)	ITinc

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。

KOX00892p	226 C12H20NO3	170 C8H12NO3	152 C8H10NO2	135 C8H7O2	125 C7H9O2	110 C6H6O2	107 C7H7O	79 C6H7	77 C6H5	57 C4H9
226 C12H20NO3
170 C8H12NO3	C4H8
152 C8H10NO2	C4H10O	H2O
135 C8H7O2	C4H13NO	H5NO	H3N
125 C7H9O2	C5H11NO	CH3NO	CHN
110 C6H6O2	C6H14NO	C2H6NO	C2H4N	C2H	CH3
107 C7H7O	C5H13NO2	CH5NO2	CH3NO	CO	H2O
79 C6H7	C6H13NO3	C2H5NO3	C2H3NO2	C2O2	CH2O2		CO
77 C6H5	C6H15NO3	C2H7NO3	C2H5NO2	C2H2O2	CH4O2	HO2	CH2O	H2
57 C4H9	C8H11NO3	C4H3NO3	C4HNO2		C3O2

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