Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Biotin

[edit] Top 10 Similar Molecules of Biotin

Ranking	About scoring
KOX00770p Score:16.65 KOX00645p Score:16.65 KOX00784p Score:13.36 KOX00043p Score:13.36 KOX00731p Score:12.72 KOX00865p Score:10.07 KOX00834p Score:9.88 KOX00807p Score:9.88 KOX00725p Score:9.88 KOX00703p Score:9.88	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 C4H5N2O: KOX00104p KOX00251p KOX00737p KOX00846p Pages Related to Peak C7H7: KOX00053p KOX00120p KOX00122p KOX00154p KOX00189p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00424p KOX00433p KOX00456p KOX00471p KOX00485p KOX00514p KOX00558p KOX00580p KOX00582p KOX00604p KOX00635p KOX00645p KOX00647p KOX00649p KOX00658p KOX00667p KOX00674p KOX00694p KOX00703p KOX00713p KOX00718p KOX00722p KOX00725p KOX00731p KOX00738p KOX00747p KOX00766p KOX00770p KOX00790p KOX00797p KOX00798p KOX00807p KOX00808p KOX00809p KOX00834p KOX00836p KOX00857p KOX00859p KOX00870p KOX00872p KOX00875p KOX00878p KOX00879p KOX00880p KOX00883p KOX00900p Pages Related to Peak C6H7: KOX00043p KOX00053p KOX00160p KOX00231p KOX00236p KOX00456p KOX00485p KOX00536p KOX00637p KOX00645p KOX00671p KOX00682p KOX00697p KOX00703p KOX00719p KOX00720p KOX00725p KOX00770p KOX00784p KOX00795p KOX00807p KOX00814p KOX00828p KOX00834p KOX00865p KOX00882p KOX00886p KOX00892p KOX00902p Pages Related to Peak C6H5: KOX00006p KOX00034p KOX00041p KOX00043p KOX00053p KOX00064p KOX00073p KOX00118p KOX00120p KOX00122p KOX00189p KOX00195p KOX00221p KOX00231p KOX00236p KOX00328p KOX00359p KOX00368p KOX00371p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00456p KOX00471p KOX00485p KOX00491p KOX00501p KOX00510p KOX00514p KOX00536p KOX00558p KOX00580p KOX00582p KOX00604p KOX00616p KOX00628p KOX00637p KOX00638p KOX00643p KOX00645p KOX00646p KOX00649p KOX00670p KOX00671p KOX00673p KOX00674p KOX00676p KOX00694p KOX00697p KOX00703p KOX00705p KOX00713p KOX00719p KOX00720p KOX00722p KOX00725p KOX00731p KOX00738p KOX00747p KOX00762p KOX00763p KOX00766p KOX00767p KOX00769p KOX00770p KOX00784p KOX00789p KOX00795p KOX00797p KOX00804p KOX00805p KOX00807p KOX00808p KOX00809p KOX00811p KOX00814p KOX00817p KOX00819p KOX00824p KOX00828p KOX00830p KOX00832p KOX00834p KOX00840p KOX00859p KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p Pages Related to Peak C5H7: KOX00016p KOX00041p KOX00043p KOX00067p KOX00069p KOX00095p KOX00174p KOX00197p KOX00290p KOX00292p KOX00343p KOX00347p KOX00393p KOX00420p KOX00469p KOX00491p KOX00499p KOX00508p KOX00512p KOX00633p KOX00645p KOX00647p KOX00649p KOX00661p KOX00685p KOX00687p KOX00691p KOX00709p KOX00710p KOX00731p KOX00736p KOX00747p KOX00762p KOX00767p KOX00769p KOX00770p KOX00782p KOX00784p KOX00808p KOX00819p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00233p KOX00256p KOX00276p KOX00284p 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 Pages Related to Peak C3H4N: KOX00032p KOX00056p KOX00062p KOX00086p KOX00111p KOX00118p KOX00136p KOX00181p KOX00215p KOX00251p KOX00254p KOX00308p KOX00313p KOX00427p KOX00429p KOX00443p KOX00512p KOX00526p KOX00588p KOX00590p KOX00606p KOX00608p KOX00639p KOX00684p KOX00698p KOX00713p KOX00721p KOX00746p KOX00749p KOX00750p KOX00756p KOX00761p KOX00779p KOX00780p KOX00791p KOX00793p KOX00799p KOX00802p KOX00803p KOX00846p KOX00876p KOX00878p KOX00911p KOX00913p

[edit] Annotations

Precursor	Product	Comments
C10H17N2O3S (245)	C10H15N2O2S (227)	-H2O
C10H17N2O3S (245)	C9H15N2OS (199)	b
C10H17N2O3S (245)	C4H5N2O (97)	a
C10H15N2O2S (227)	C10H13N2OS (209)	IT
C10H15N2O2S (227)	C9H15N2OS (199)	IT
C10H15N2O2S (227)	C4H5N2O (97)	IT
C10H13N2OS (209)	C10H10NOS (192)	IT
C10H13N2OS (209)	C4H5N2O (97)	IT

[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。

KOX00126p	245 C10H17N2O3S	227 C10H15N2O2S	209 C10H13N2OS	199 C9H15N2OS	192 C10H10NOS	184 C9H14NOS	166 C9H12NS	149 C9H9S	139 C8H11S	125 C7H9S	123 C7H7S	97 C4H5N2O	91 C7H7	79 C6H7	77 C6H5	67 C5H7	55 C4H7	54 C3H4N
245 C10H17N2O3S
227 C10H15N2O2S	H2O
209 C10H13N2OS	H4O2	H2O
199 C9H15N2OS	CH2O2	CO
192 C10H10NOS	H7NO2	H5NO	H3N
184 C9H14NOS	CH3NO2	CHNO		HN
166 C9H12NS	CH5NO3	CH3NO2	CHNO	H3NO		H2O
149 C9H9S	CH8N2O3	CH6N2O2	CH4N2O	H6N2O	CHNO	H5NO	H3N
139 C8H11S	C2H6N2O3	C2H4N2O2	C2H2N2O	CH4N2O		CH3NO	CHN
125 C7H9S	C3H8N2O3	C3H6N2O2	C3H4N2O	C2H6N2O	C3HNO	C2H5NO	C2H3N	C2	CH2
123 C7H7S	C3H10N2O3	C3H8N2O2	C3H6N2O	C2H8N2O	C3H3NO	C2H7NO	C2H5N	C2H2	CH4	H2
97 C4H5N2O	C6H12O2S	C6H10OS	C6H8S	C5H10S
91 C7H7	C3H10N2O3S	C3H8N2O2S	C3H6N2OS	C2H8N2OS	C3H3NOS	C2H7NOS	C2H5NS	C2H2S	CH4S	H2S	S
79 C6H7	C4H10N2O3S	C4H8N2O2S	C4H6N2OS	C3H8N2OS	C4H3NOS	C3H7NOS	C3H5NS	C3H2S	C2H4S	CH2S	CS		C
77 C6H5	C4H12N2O3S	C4H10N2O2S	C4H8N2OS	C3H10N2OS	C4H5NOS	C3H9NOS	C3H7NS	C3H4S	C2H6S	CH4S	CH2S		CH2	H2
67 C5H7	C5H10N2O3S	C5H8N2O2S	C5H6N2OS	C4H8N2OS	C5H3NOS	C4H7NOS	C4H5NS	C4H2S	C3H4S	C2H2S	C2S		C2	C
55 C4H7	C6H10N2O3S	C6H8N2O2S	C6H6N2OS	C5H8N2OS	C6H3NOS	C5H7NOS	C5H5NS	C5H2S	C4H4S	C3H2S	C3S		C3	C2		C
54 C3H4N	C7H13NO3S	C7H11NO2S	C7H9NOS	C6H11NOS	C7H6OS	C6H10OS	C6H8S					CHNO

(pos/neg)<<First Page (pos/neg)<Previous Page

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@@ Line 2: / Line 2: @@
 &&C10H17N2O3S&&C10H15N2O2S&&C10H13N2OS&&C9H15N2OS&&C10H10NOS&&C9H14NOS&&C9H12NS&&C9H9S&&C8H11S&&C7H9S&&C7H7S&&C4H5N2O&&C7H7&&C6H7&&C6H5&&C5H7&&C4H7&&C3H4N&&
-&&C10H17N2O3S: C10H15N2O2S C9H15N2OS C4H5N2O
+&&C10H17N2O3S: C10H15N2O2S
-&&C10H15N2O2S: C10H13N2OS C9H15N2OS C4H5N2O
+-H2O
-&&C10H13N2OS: C10H10NOS C4H5N2O
+&&C10H17N2O3S: C10H13N2OS**
-&&C9H15N2OS: C4H5N2O
+&&C10H17N2O3S: C9H15N2OS
+b
+&&C10H17N2O3S: C10H10NOS**
+&&C10H17N2O3S: C4H5N2O
+a
+&&C10H15N2O2S: C10H13N2OS
+IT
+&&C10H15N2O2S: C9H15N2OS
+IT
+&&C10H15N2O2S: C10H10NOS**
+&&C10H15N2O2S: C4H5N2O
+IT
+&&C10H13N2OS: C10H10NOS
+IT
+&&C10H13N2OS: C4H5N2O
+IT
+&&C9H15N2OS: C9H14NOS* C4H5N2O
+&&C9H9S: C7H9S*
+&&C8H11S: C7H9S*
+&&C7H9S: C7H7S*
+&&C7H7S: C7H7*
+&&C7H7: C6H7* C6H5* C5H7* C4H7*
+&&C6H7: C6H5* C5H7* C4H7*
+&&C5H7: C4H7*
 }}

IDs and Links
MassBank	Biotin
CAS	58-85-5
Keio ID	B020+

MassBank:KOX00126p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Biotin

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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