Ojima:COX00032p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Enalapril

IDs and Links
MassBank	Enalapril
CAS
Keio ID

Top 10 Similar Molecules of Enalapril

Ranking	About scoring
M071+ Score:9.91 E034+ Score:9.91 P061+ Score:8.99 D039+ Score:8.99 A226+ Score:8.99 E007+ Score:8.69 P048+ Score:8.11 L004+ Score:8.11 H073+ Score:8.11 A174+ Score:8.11	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 C11H14N:   M071+   Pages Related to Peak C9H12N:   A226+  D039+  E007+  P061+   Pages Related to Peak C6H12NO2:   A050+  A127+  A174+  D064+  H073+  L004+  P048+  D106+   Pages Related to Peak C9H9:   E034+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  M022+

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。

COX00032p	377 C20H29N2O5	303 C17H23N2O3	234 C14H20NO2	160 C11H14N	134 C9H12N	130 C6H12NO2	117 C9H9	91 C7H7	56 C3H6N
377 C20H29N2O5
303 C17H23N2O3	C3H6O2
234 C14H20NO2	C6H9NO3	C3H3NO
160 C11H14N	C9H15NO5	C6H9NO3	C3H6O2
134 C9H12N	C11H17NO5	C8H11NO3	C5H8O2	C2H2
130 C6H12NO2	C14H17NO3	C11H11NO	C8H8
117 C9H9	C11H20N2O5	C8H14N2O3	C5H11NO2	C2H5N	H3N
91 C7H7	C13H22N2O5	C10H16N2O3	C7H13NO2	C4H7N	C2H5N		C2H2
56 C3H6N	C17H23NO5	C14H17NO3	C11H14O2	C8H8	C6H6	C3H6O2

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