Ojima:COX00073p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Prednisolone_Tebutate

IDs and Links
MassBank	Prednisolone_Tebutate
CAS
Keio ID

Top 10 Similar Molecules of Prednisolone_Tebutate

Ranking	About scoring
O007+ Score:10.63 I039+ Score:6.23 T008+ Score:5.54 S040+ Score:5.54 E007+ Score:5.54 A080+ Score:5.54 P075+ Score:5.54 I064+ Score:4.39 T126+ Score:4.39 P157+ Score:4.39	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 C5H11:   I039+  O007+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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。

COX00073p	459 C27H39O6	441 C27H37O5	423 C27H35O4	325 C21H25O3	307 C21H23O2	289 C21H21O	239 C17H19O	237 C17H17O	147 C10H11O	121 C8H9O	99 C6H11O	71 C5H11	57 C4H9
459 C27H39O6
441 C27H37O5	H2O
423 C27H35O4	H4O2	H2O
325 C21H25O3	C6H14O3	C6H12O2	C6H10O
307 C21H23O2	C6H16O4	C6H14O3	C6H12O2	H2O
289 C21H21O	C6H18O5	C6H16O4	C6H14O3	H4O2	H2O
239 C17H19O	C10H20O5	C10H18O4	C10H16O3	C4H6O2	C4H4O	C4H2
237 C17H17O	C10H22O5	C10H20O4	C10H18O3	C4H8O2	C4H6O	C4H4	H2
147 C10H11O	C17H28O5	C17H26O4	C17H24O3	C11H14O2	C11H12O	C11H10	C7H8	C7H6
121 C8H9O	C19H30O5	C19H28O4	C19H26O3	C13H16O2	C13H14O	C13H12	C9H10	C9H8	C2H2
99 C6H11O	C21H28O5	C21H26O4	C21H24O3	C15H14O2	C15H12O	C15H10	C11H8	C11H6	C4
71 C5H11	C22H28O6	C22H26O5	C22H24O4	C16H14O3	C16H12O2	C16H10O	C12H8O	C12H6O	C5O		CO
57 C4H9	C23H30O6	C23H28O5	C23H26O4	C17H16O3	C17H14O2	C17H12O	C13H10O	C13H8O	C6H2O	C4O	C2H2O	CH2

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