Ojima:COX00008p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Alfentanil

IDs and Links
MassBank	Alfentanil
CAS
Keio ID

Top 10 Similar Molecules of Alfentanil

Ranking	About scoring
N044+ Score:9.05 N016+ Score:9.05 D075+ Score:6.63 B019+ Score:6.63 A127+ Score:6.63 H025+ Score:6.23 T015+ Score:6.23 T030+ Score:5.38 S041+ Score:5.38 T054+ Score:5.38	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 C12H22N5O2:   B019+   Pages Related to Peak C10H17N2O2:   D075+   Pages Related to Peak C9H13N2O:   A127+   Pages Related to Peak C9H10N:   T003+  T054+  N016+  S041+  T030+  N044+   Pages Related to Peak C4H7N2O:   T015+  H025+   Pages Related to Peak C6H8N:   A010+  A043+  A130+  A220+  C040+  D166+  E033+  G101+  H027+  H029+  H139+  M037+  P014+  P053+  A054+  A068+  A069+  A123+  B009+  B011+  C172+  D032+  D039+  D087+  D180+  K004+  K005+  M063+  M111+  M150+  M172+  N016+  N063+  P079+  S044+  T060+  T122+  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。

COX00008p	417 C21H33N6O3	385 C20H29N6O2	314 C16H22N6O	268 C12H22N5O2	197 C10H17N2O2	165 C9H13N2O	132 C9H10N	99 C4H7N2O	94 C6H8N
417 C21H33N6O3
385 C20H29N6O2	CH4O
314 C16H22N6O	C5H11O2	C4H7O
268 C12H22N5O2	C9H11NO	C8H7N
197 C10H17N2O2	C11H16N4O	C10H12N4		C2H5N3
165 C9H13N2O	C12H20N4O2	C11H16N4O	C7H9N4	C3H9N3O	CH4O
132 C9H10N	C12H23N5O3	C11H19N5O2	C7H12N5O	C3H12N4O2	CH7NO2	H3NO
99 C4H7N2O	C17H26N4O2	C16H22N4O	C12H15N4	C8H15N3O	C6H10O	C5H6
94 C6H8N	C15H25N5O3	C14H21N5O2	C10H14N5O	C6H14N4O2	C4H9NO2	C3H5NO	C3H2

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