Ojima:COX00072p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Prednisolone

IDs and Links
MassBank	Prednisolone
CAS
Keio ID

Top 10 Similar Molecules of Prednisolone

Ranking	About scoring
T008+ Score:8.81 A080+ Score:8.81 S040+ Score:5.54 E007+ Score:5.54 P075+ Score:5.54 D030+ Score:3.27 T044+ Score:3.27 T032+ Score:3.27 T031+ Score:3.27 T030+ Score:3.27	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 C8H9O:   P075+  A080+  E007+  S040+  T008+   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+

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。

COX00072p	361 C21H29O5	343 C21H27O4	325 C21H25O3	307 C21H23O2	223 C16H15O	171 C12H11O	147 C10H11O	121 C8H9O	91 C7H7
361 C21H29O5
343 C21H27O4	H2O
325 C21H25O3	H4O2	H2O
307 C21H23O2	H6O3	H4O2	H2O
223 C16H15O	C5H14O4	C5H12O3	C5H10O2	C5H8O
171 C12H11O	C9H18O4	C9H16O3	C9H14O2	C9H12O	C4H4
147 C10H11O	C11H18O4	C11H16O3	C11H14O2	C11H12O	C6H4	C2
121 C8H9O	C13H20O4	C13H18O3	C13H16O2	C13H14O	C8H6	C4H2	C2H2
91 C7H7	C14H22O5	C14H20O4	C14H18O3	C14H16O2	C9H8O	C5H4O	C3H4O	CH2O

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