Ojima:COX00074p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Prednisone

IDs and Links
MassBank	Prednisone
CAS
Keio ID

Top 10 Similar Molecules of Prednisone

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。

COX00074p	359 C21H27O5	341 C21H25O4	323 C21H23O3	237 C17H17O	171 C12H11O	147 C10H11O	121 C8H9O	91 C7H7
359 C21H27O5
341 C21H25O4	H2O
323 C21H23O3	H4O2	H2O
237 C17H17O	C4H10O4	C4H8O3	C4H6O2
171 C12H11O	C9H16O4	C9H14O3	C9H12O2	C5H6
147 C10H11O	C11H16O4	C11H14O3	C11H12O2	C7H6	C2
121 C8H9O	C13H18O4	C13H16O3	C13H14O2	C9H8	C4H2	C2H2
91 C7H7	C14H20O5	C14H18O4	C14H16O3	C10H10O	C5H4O	C3H4O	CH2O

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