Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Metyrapone

[edit] Top 10 Similar Molecules of Metyrapone

Ranking	About scoring
KOX00811p Score:23.89 KOX00647p Score:23.89 KOX00657p Score:20.69 KOX00788p Score:20.31 KOX00912p Score:18.86 KOX00809p Score:18.86 KOX00510p Score:18.86 KOX00491p Score:18.86 KOX00840p Score:18.82 KOX00857p Score:15.77	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 C12H11N2: KOX00221p KOX00328p KOX00657p Pages Related to Peak C8H11N: KOX00857p Pages Related to Peak C8H10N: KOX00053p KOX00122p KOX00236p KOX00485p KOX00635p KOX00647p KOX00713p KOX00811p KOX00857p Pages Related to Peak C7H8N: KOX00231p KOX00385p KOX00424p KOX00433p KOX00456p KOX00491p KOX00510p KOX00536p KOX00604p KOX00637p KOX00638p KOX00647p KOX00697p KOX00719p KOX00720p KOX00797p KOX00798p KOX00809p KOX00811p KOX00834p KOX00857p KOX00866p KOX00879p KOX00912p Pages Related to Peak C7H6N: KOX00236p KOX00359p KOX00379p KOX00381p KOX00422p KOX00491p KOX00510p KOX00604p KOX00628p KOX00637p KOX00647p KOX00657p KOX00670p KOX00713p KOX00766p KOX00797p KOX00804p KOX00808p KOX00809p KOX00811p KOX00817p KOX00832p KOX00840p KOX00860p KOX00866p KOX00872p KOX00877p KOX00878p KOX00879p KOX00912p Pages Related to Peak C5H6NO: KOX00067p KOX00102p KOX00124p KOX00138p KOX00288p KOX00292p KOX00531p KOX00547p KOX00642p KOX00730p KOX00736p KOX00739p KOX00740p KOX00744p KOX00745p KOX00757p KOX00760p KOX00788p KOX00794p KOX00795p KOX00810p KOX00826p KOX00840p KOX00847p KOX00886p Pages Related to Peak C6H8N: KOX00006p KOX00034p KOX00073p KOX00107p KOX00154p KOX00221p KOX00236p KOX00302p KOX00325p KOX00328p KOX00359p KOX00422p KOX00491p KOX00510p KOX00643p KOX00647p KOX00648p KOX00657p KOX00671p KOX00673p KOX00694p KOX00697p KOX00703p KOX00713p KOX00720p KOX00766p KOX00767p KOX00788p KOX00805p KOX00809p KOX00811p KOX00815p KOX00840p KOX00868p KOX00886p KOX00890p KOX00912p Pages Related to Peak C6H7N: KOX00006p KOX00032p KOX00034p KOX00073p KOX00107p KOX00118p KOX00221p KOX00231p KOX00302p KOX00325p KOX00359p KOX00467p KOX00491p KOX00510p KOX00582p KOX00604p KOX00637p KOX00647p KOX00648p KOX00657p KOX00673p KOX00694p KOX00703p KOX00704p KOX00720p KOX00767p KOX00788p KOX00789p KOX00797p KOX00804p KOX00809p KOX00811p KOX00823p KOX00824p KOX00831p KOX00840p KOX00854p KOX00863p KOX00866p KOX00877p KOX00879p KOX00886p KOX00912p Pages Related to Peak C5H5N: KOX00388p KOX00462p KOX00757p KOX00760p KOX00788p KOX00810p Pages Related to Peak C5H4N: KOX00034p KOX00231p KOX00317p KOX00325p KOX00388p KOX00422p KOX00462p KOX00491p KOX00510p KOX00520p KOX00531p KOX00536p KOX00642p KOX00647p KOX00657p KOX00690p KOX00693p KOX00697p KOX00730p KOX00745p KOX00749p KOX00754p KOX00757p KOX00760p KOX00788p KOX00789p KOX00809p KOX00810p KOX00811p KOX00817p KOX00826p KOX00831p KOX00832p KOX00840p KOX00847p KOX00859p KOX00860p KOX00886p KOX00900p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C14H15N2O (227)	C8H11N (121)	a,rad.
C14H15N2O (227)	C8H10N (120)	a
C14H15N2O (227)	C5H5N (79)	d,rad.[e,rad.]
C14H15N2O (227)	C5H4N (78)	d[e]
C8H11N (121)	C7H8N (106)	IT
C8H11N (121)	C5H5N (79)	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。

KOX00800p	227 C14H15N2O	183 C12H11N2	121 C8H11N	120 C8H10N	106 C7H8N	104 C7H6N	96 C5H6NO	94 C6H8N	93 C6H7N	79 C5H5N	78 C5H4N
227 C14H15N2O
183 C12H11N2	C2H4O
121 C8H11N	C6H4NO	C4N
120 C8H10N	C6H5NO	C4HN	H
106 C7H8N	C7H7NO	C5H3N	CH3	CH2
104 C7H6N	C7H9NO	C5H5N	CH5	CH4	H2
96 C5H6NO	C9H9N
94 C6H8N	C8H7NO	C6H3N	C2H3	C2H2	C
93 C6H7N	C8H8NO	C6H4N	C2H4	C2H3	CH			H
79 C5H5N	C9H10NO	C7H6N	C3H6	C3H5	C2H3	C2H	HO	CH3	CH2
78 C5H4N	C9H11NO	C7H7N	C3H7	C3H6	C2H4	C2H2	H2O	CH4	CH3	H

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IDs and Links
MassBank	Metyrapone
CAS	54-36-4
Keio ID	M111+

MassBank:KOX00800p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Metyrapone

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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