MassBank:KOX00284p

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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
KOX00601p Score:19.91 KOX00701p Score:5.72 KOX00290p Score:5.72 KOX00279p Score:5.72 KOX00262p Score:5.72 KOX00900p Score:3.28 KOX00894p Score:3.28 KOX00861p Score:3.28 KOX00857p Score:3.28 KOX00830p Score:3.28	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。

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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。

KOX00284p	466 C26H44NO6	448 C26H42NO5	430 C26H40NO4	412 C26H38NO3	337 C24H33O	263 C17H27O2	227 C13H23O3	209 C13H21O2	76 C2H6NO2	55 C4H7
466 C26H44NO6
448 C26H42NO5	H2O
430 C26H40NO4	H4O2	H2O
412 C26H38NO3	H6O3	H4O2	H2O
337 C24H33O	C2H11NO5	C2H9NO4	C2H7NO3	C2H5NO2
263 C17H27O2	C9H17NO4	C9H15NO3	C9H13NO2	C9H11NO
227 C13H23O3	C13H21NO3	C13H19NO2	C13H17NO	C13H15N
209 C13H21O2	C13H23NO4	C13H21NO3	C13H19NO2	C13H17NO		C4H6	H2O
76 C2H6NO2	C24H38O4	C24H36O3	C24H34O2	C24H32O
55 C4H7	C22H37NO6	C22H35NO5	C22H33NO4	C22H31NO3	C20H26O	C13H20O2	C9H16O3	C9H14O2

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