Ojima:KOX00283n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glycocholate

IDs and Links
MassBank	Glycocholate
CAS	475-31-0
Keio ID	G050-

Top 10 Similar Molecules of Glycocholate

Ranking	About scoring
Q001+ Score:5.25 B013+ Score:5.25 T002+ Score:5.25 P055+ Score:5.25 P033+ Score:5.25 H139+ Score:5.25 G062+ Score:5.25 K004+ Score:3.93 H050+ Score:3.93 E056+ Score:3.93	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 C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+

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。

KOX00283n	464 C26H42NO6	402 C25H40NO3	262 C17H26O2	95 C6H7O	74 C2H4NO2
464 C26H42NO6
402 C25H40NO3	CH2O3
262 C17H26O2	C9H16NO4	C8H14NO
95 C6H7O	C20H35NO5	C19H33NO2	C11H19O
74 C2H4NO2	C24H38O4	C23H36O

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