Ojima:COX00033p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Enalaprilat

IDs and Links
MassBank	Enalaprilat
CAS
Keio ID

Top 10 Similar Molecules of Enalaprilat

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 A204+ Score:6.97 M025+ Score:6.97 H003+ Score:6.97 G006+ Score:6.97	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 C9H9:   E034+   Pages Related to Peak C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   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。

COX00033p	349 C18H25N2O5	303 C17H23N2O3	206 C12H16NO2	160 C11H14N	134 C9H12N	117 C9H9	102 C4H8NO2	91 C7H7	56 C3H6N
349 C18H25N2O5
303 C17H23N2O3	CH2O2
206 C12H16NO2	C6H9NO3	C5H7NO
160 C11H14N	C7H11NO5	C6H9NO3	CH2O2
134 C9H12N	C9H13NO5	C8H11NO3	C3H4O2	C2H2
117 C9H9	C9H16N2O5	C8H14N2O3	C3H7NO2	C2H5N	H3N
102 C4H8NO2	C14H17NO3	C13H15NO	C8H8
91 C7H7	C11H18N2O5	C10H16N2O3	C5H9NO2	C4H7N	C2H5N	C2H2
56 C3H6N	C15H19NO5	C14H17NO3	C9H10O2	C8H8	C6H6		CH2O2

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