Ojima:KOX00613p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Taurolithocholate

IDs and Links
MassBank	Taurolithocholate
CAS
Keio ID	T072+

Top 10 Similar Molecules of Taurolithocholate

Ranking	About scoring
T072+ Score:39.13 T043+ Score:5.94 T004+ Score:5.94	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 C26H46NO8S2:   T072+   Pages Related to Peak C26H46NO5S:   T072+   Pages Related to Peak C26H44NO4S:   T072+   Pages Related to Peak C24H37O:   T072+   Pages Related to Peak C24H35:   T072+   Pages Related to Peak C2H8NO3S:   T004+  T043+  T072+

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。

KOX00613p	564 C26H46NO8S2	484 C26H46NO5S	466 C26H44NO4S	341 C24H37O	323 C24H35	126 C2H8NO3S
564 C26H46NO8S2
484 C26H46NO5S	O3S
466 C26H44NO4S	H2O4S	H2O
341 C24H37O	C2H9NO7S2	C2H9NO4S	C2H7NO3S
323 C24H35	C2H11NO8S2	C2H11NO5S	C2H9NO4S	H2O
126 C2H8NO3S	C24H38O5S	C24H38O2	C24H36O

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