Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Glycocholate

[edit] 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。

[edit] Links

Page list for each fragment
Pages Related to Peak C24H33O: KOX00601p Pages Related to Peak C13H23O3: KOX00601p Pages Related to Peak C13H21O2: KOX00601p Pages Related to Peak C2H6NO2: KOX00262p KOX00279p KOX00290p KOX00701p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00343p KOX00347p KOX00368p KOX00374p KOX00391p KOX00393p KOX00420p KOX00445p KOX00464p KOX00471p KOX00478p KOX00508p KOX00558p KOX00623p KOX00633p KOX00641p KOX00645p KOX00655p KOX00664p KOX00666p KOX00669p KOX00672p KOX00676p KOX00682p KOX00691p KOX00710p KOX00711p KOX00721p KOX00724p KOX00731p KOX00736p KOX00752p KOX00758p KOX00762p KOX00769p KOX00770p KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C26H44NO6 (466)	C26H42NO5 (448)	-H2O
C26H44NO6 (466)	C2H6NO2 (76)	c

[edit] 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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@@ Line 2: / Line 2: @@
 &&C26H44NO6&&C26H42NO5&&C26H40NO4&&C26H38NO3&&C24H33O&&C17H27O2&&C13H23O3&&C13H21O2&&C2H6NO2&&C4H7&&
-&&C26H44NO6: C26H42NO5 C26H40NO4** C26H38NO3** C24H33O** C2H6NO2 C4H7**
+&&C26H44NO6: C26H42NO5
+-H2O
+&&C26H44NO6: C26H40NO4** C26H38NO3** C24H33O**
+&&C26H44NO6: C2H6NO2
+c
+&&C26H44NO6: C4H7**
 &&C26H42NO5: C26H40NO4 C26H38NO3** C24H33O** C2H6NO2 C4H7**
 &&C26H40NO4: C26H38NO3 C24H33O** C2H6NO2 C4H7**

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

MassBank:KOX00284p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Glycocholate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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