Ojima:COX00077p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Remifentanil

IDs and Links
MassBank	Remifentanil
CAS
Keio ID

Top 10 Similar Molecules of Remifentanil

[show] Ranking	About scoring
G021+ Score:9.16 A068+ Score:6.23 H027+ Score:6.23 O016+ Score:5.54 D106+ Score:5.54 P032+ Score:5.54 D064+ Score:5.54 A050+ Score:5.54 R041+ Score:5.38 F014+ 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。

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[show] Page list for each fragment

Pages Related to Peak C10H12N:   H027+  A068+   Pages Related to Peak C5H10NO2:   A032+  A039+  A110+  C013+  M067+  O003+  O009+  P003+  Z003+  B026+  O005+  P105+   Pages Related to Peak C6H9O2:   A050+  D064+  P032+  D106+  O016+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+   Pages Related to Peak C5H5O:   B019+  D055+  F008+  F014+  R041+  G021+

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Precursor-Product Relationship

[show] 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。

[hide] COX00077p	377 C20H29N2O5	345 C19H25N2O4	317 C18H25N2O3	285 C17H21N2O2	261 C15H21N2O2	228 C11H18NO4	146 C10H12N	116 C5H10NO2	113 C6H9O2	84 C4H6NO	81 C5H5O
377 C20H29N2O5
345 C19H25N2O4	CH4O
317 C18H25N2O3	C2H4O2	CO
285 C17H21N2O2	C3H8O3	C2H4O2	CH4O
261 C15H21N2O2	C5H8O3	C4H4O2	C3H4O	C2
228 C11H18NO4	C9H11NO	C8H7N
146 C10H12N	C10H17NO5	C9H13NO4	C8H13NO3	C7H9NO2	C5H9NO2	CH6O4
116 C5H10NO2	C15H19NO3	C14H15NO2	C13H15NO	C12H11N	C10H11N	C6H8O2
113 C6H9O2	C14H20N2O3	C13H16N2O2	C12H16N2O	C11H12N2	C9H12N2	C5H9NO2
84 C4H6NO	C16H23NO4	C15H19NO3	C14H19NO2	C13H15NO	C11H15NO	C7H12O3		CH4O
81 C5H5O	C15H24N2O4	C14H20N2O3	C13H20N2O2	C12H16N2O	C10H16N2O	C6H13NO3		H5NO	CH4O

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