Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

a-Lipoamide

[edit] Top 10 Similar Molecules of a-Lipoamide

Ranking	About scoring
KOX00645p Score:21.67 KOX00126p Score:16.65 KOX00485p Score:14.91 KOX00053p Score:14.91 KOX00875p Score:14.46 KOX00747p Score:14.46 KOX00649p Score:14.46 KOX00784p Score:13.36 KOX00043p Score:13.36 KOX00731p Score:12.72	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 C7H9: KOX00053p KOX00122p KOX00298p KOX00485p KOX00645p KOX00649p KOX00747p KOX00872p KOX00875p Pages Related to Peak C7H7: KOX00053p KOX00120p KOX00122p KOX00126p 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 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 KOX00126p KOX00160p KOX00231p KOX00236p KOX00456p KOX00485p KOX00536p KOX00637p KOX00645p KOX00671p KOX00682p KOX00697p KOX00703p KOX00719p KOX00720p KOX00725p 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 KOX00126p 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 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 KOX00126p 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 KOX00782p KOX00784p KOX00808p KOX00819p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p 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 KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C8H16NOS2 (206)	C8H13OS2 (189)	d
C8H16NOS2 (206)	C7H13S2 (161)	b
C8H16NOS2 (206)	C3H5S2 (105)	a
C8H13OS2 (189)	C8H11S2 (171)	IT
C8H13OS2 (189)	C7H13S2 (161)	IT
C7H13S2 (161)	C7H11S (127)	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。

KOX00770p	206 C8H16NOS2	189 C8H13OS2	171 C8H11S2	161 C7H13S2	137 C8H9S	127 C7H11S	105 C3H5S2	101 C5H9S	93 C7H9	91 C7H7	79 C6H7	77 C6H5	67 C5H7	55 C4H7
206 C8H16NOS2
189 C8H13OS2	H3N
171 C8H11S2	H5NO	H2O
161 C7H13S2	CH3NO	CO
137 C8H9S	H7NOS	H4OS	H2S
127 C7H11S	CH5NOS	CH2OS	CS	H2S
105 C3H5S2	C5H11NO	C5H8O	C5H6	C4H8
101 C5H9S	C3H7NOS	C3H4OS	C3H2S	C2H4S	C3	C2H2
93 C7H9	CH7NOS2	CH4OS2	CH2S2	H4S2	CS	H2S
91 C7H7	CH9NOS2	CH6OS2	CH4S2	H6S2	CH2S	H4S			H2
79 C6H7	C2H9NOS2	C2H6OS2	C2H4S2	CH6S2	C2H2S	CH4S			CH2	C
77 C6H5	C2H11NOS2	C2H8OS2	C2H6S2	CH8S2	C2H4S	CH6S			CH4	CH2	H2
67 C5H7	C3H9NOS2	C3H6OS2	C3H4S2	C2H6S2	C3H2S	C2H4S		H2S	C2H2	C2	C
55 C4H7	C4H9NOS2	C4H6OS2	C4H4S2	C3H6S2	C4H2S	C3H4S		CH2S	C3H2	C3	C2		C

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IDs and Links
MassBank	a-Lipoamide
CAS	940-69-2
Keio ID	L031+

MassBank:KOX00770p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of a-Lipoamide

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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