Ojima:COX00049p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Ketorolac

IDs and Links
MassBank	Ketorolac
CAS
Keio ID

Top 10 Similar Molecules of Ketorolac

Ranking	About scoring
X004+ Score:15.24 B026+ Score:8.6 B009+ Score:8.6 Q001+ Score:7.9 B013+ Score:7.9 T002+ Score:7.9 P033+ Score:7.9 H139+ Score:7.9 M099+ Score:6.63 P055+ Score:5.25	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 C14H12NO:   M099+   Pages Related to Peak C9H8NO3:   X004+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   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。

COX00049p	256 C15H14NO3	210 C14H12NO	178 C9H8NO3	105 C7H5O	95 C6H7O	77 C6H5
256 C15H14NO3
210 C14H12NO	CH2O2
178 C9H8NO3	C6H6
105 C7H5O	C8H9NO2	C7H7N	C2H3NO2
95 C6H7O	C9H7NO2	C8H5N	C3HNO2
77 C6H5	C9H9NO3	C8H7NO	C3H3NO3	CO	H2O

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)