Ojima:COX00021p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cholesterol

IDs and Links
MassBank	Cholesterol
CAS
Keio ID

Top 10 Similar Molecules of Cholesterol

Ranking	About scoring
G075+ Score:6.63 U011+ Score:5.94 A189+ Score:5.94 A135+ Score:5.94 V021+ Score:4.76 T041+ Score:4.76 S041+ Score:4.76 P047+ Score:4.76 M169+ Score:4.76 M167+ Score:4.76	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 C11H15:   G075+   Pages Related to Peak C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   Pages Related to Peak C5H7O:   A135+  A189+  U011+   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。

COX00021p	387 C27H47O	147 C11H15	105 C8H9	83 C5H7O	57 C4H9
387 C27H47O
147 C11H15	C16H32O
105 C8H9	C19H38O	C3H6
83 C5H7O	C22H40
57 C4H9	C23H38O	C7H6	C4

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