Ojima:COX00085p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sufentanil

IDs and Links
MassBank	Sufentanil
CAS
Keio ID

Top 10 Similar Molecules of Sufentanil

Ranking	About scoring
N044+ Score:8.04 T030+ Score:8.04 S041+ Score:8.04 N016+ Score:8.04 T054+ Score:8.04 T003+ Score:8.04 A174+ Score:6.64 T061+ Score:6.23 D075+ Score:6.23 A155+ Score:2.66	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 C8H14NO:   D075+  T061+   Pages Related to Peak C9H10N:   T003+  T054+  N016+  S041+  T030+  N044+   Pages Related to Peak C7H12NO:   A174+   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。

COX00085p	387 C22H31N2O2S	355 C21H27N2OS	238 C13H20NOS	206 C12H16NS	140 C8H14NO	132 C9H10N	126 C7H12NO	111 C6H7S	77 C6H5
387 C22H31N2O2S
355 C21H27N2OS	CH4O
238 C13H20NOS	C9H11NO	C8H7N
206 C12H16NS	C10H15NO2	C9H11NO	CH4O
140 C8H14NO	C14H17NOS	C13H13NS	C5H6S
132 C9H10N	C13H21NO2S	C12H17NOS	C4H10OS	C3H6S
126 C7H12NO	C15H19NOS	C14H15NS	C6H8S		CH2
111 C6H7S	C16H24N2O2	C15H20N2O	C7H13NO	C6H9N
77 C6H5	C16H26N2O2S	C15H22N2OS	C7H15NOS	C6H11NS	C2H9NO	C3H5N	CH7NO	H2S

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