MassBank:KOX00601p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Taurocholate

IDs and Links
MassBank	Taurocholate
CAS	81-24-3
Keio ID	T043+

Top 10 Similar Molecules of Taurocholate

Ranking	About scoring
KOX00284p Score:19.91 KOX00298p Score:6.63 KOX00613p Score:6.23 KOX00584p Score:6.23	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 C24H33O:   KOX00284p   Pages Related to Peak C13H23O3:   KOX00284p   Pages Related to Peak C13H21O2:   KOX00284p   Pages Related to Peak C12H13:   KOX00298p   Pages Related to Peak C2H8NO3S:   KOX00584p  KOX00613p

Annotations

Precursor	Product	Comments
C26H46NO7S (516)	C26H44NO6S (498)	-H2O
C26H46NO7S (516)	C13H23O3 (227)	a
C26H46NO7S (516)	C2H8NO3S (126)	b

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。

KOX00601p	516 C26H46NO7S	498 C26H44NO6S	480 C26H42NO5S	462 C26H40NO4S	337 C24H33O	319 C24H31	227 C13H23O3	209 C13H21O2	157 C12H13	126 C2H8NO3S
516 C26H46NO7S
498 C26H44NO6S	H2O
480 C26H42NO5S	H4O2	H2O
462 C26H40NO4S	H6O3	H4O2	H2O
337 C24H33O	C2H13NO6S	C2H11NO5S	C2H9NO4S	C2H7NO3S
319 C24H31	C2H15NO7S	C2H13NO6S	C2H11NO5S	C2H9NO4S	H2O
227 C13H23O3	C13H23NO4S	C13H21NO3S	C13H19NO2S	C13H17NOS
209 C13H21O2	C13H25NO5S	C13H23NO4S	C13H21NO3S	C13H19NO2S			H2O
157 C12H13	C14H33NO7S	C14H31NO6S	C14H29NO5S	C14H27NO4S	C12H20O	C12H18	CH10O3	CH8O2
126 C2H8NO3S	C24H38O4	C24H36O3	C24H34O2	C24H32O

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