Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Primidone

[edit] Top 10 Similar Molecules of Primidone

Ranking	About scoring
KOX00053p Score:22.46 KOX00723p Score:17.83 KOX00456p Score:16.88 KOX00703p Score:15.82 KOX00433p Score:15.6 KOX00424p Score:15.6 KOX00667p Score:15.17 KOX00676p Score:14.14 KOX00720p Score:13.59 KOX00719p Score:13.59	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 C12H15N2O2: KOX00667p KOX00676p KOX00723p Pages Related to Peak C11H12NO2: KOX00053p Pages Related to Peak C11H12NO: KOX00325p KOX00424p KOX00433p KOX00676p KOX00798p Pages Related to Peak C10H12NO: KOX00053p KOX00723p KOX00808p Pages Related to Peak C9H12N: KOX00667p KOX00703p KOX00723p Pages Related to Peak C4H7N2O2: KOX00251p KOX00279p KOX00504p KOX00737p KOX00801p Pages Related to Peak C7H8N: KOX00231p KOX00385p KOX00424p KOX00433p KOX00456p KOX00491p KOX00510p KOX00536p KOX00604p KOX00637p KOX00638p KOX00647p KOX00697p KOX00719p KOX00720p KOX00797p KOX00798p KOX00800p KOX00809p KOX00811p KOX00857p KOX00866p KOX00879p KOX00912p 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 KOX00770p KOX00790p KOX00797p KOX00798p KOX00807p KOX00808p KOX00809p 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 KOX00770p KOX00784p KOX00795p KOX00807p KOX00814p KOX00828p 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 KOX00770p KOX00784p KOX00789p KOX00795p KOX00797p KOX00804p KOX00805p KOX00807p KOX00808p KOX00809p KOX00811p KOX00814p KOX00817p KOX00819p KOX00824p KOX00828p KOX00830p KOX00832p KOX00840p KOX00859p KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p Pages Related to Peak C5H5: KOX00006p KOX00032p KOX00034p KOX00041p KOX00073p KOX00107p KOX00118p KOX00120p KOX00131p KOX00154p KOX00189p KOX00201p KOX00221p KOX00231p KOX00236p KOX00254p KOX00302p KOX00328p KOX00359p KOX00371p KOX00377p KOX00406p KOX00422p KOX00456p KOX00467p KOX00485p KOX00491p KOX00510p KOX00514p KOX00536p KOX00558p KOX00577p KOX00580p KOX00604p KOX00620p KOX00628p KOX00635p KOX00645p KOX00647p KOX00656p KOX00673p KOX00674p KOX00689p KOX00693p KOX00694p KOX00697p KOX00704p KOX00713p KOX00718p KOX00719p KOX00720p KOX00722p KOX00724p KOX00725p KOX00766p KOX00775p KOX00784p KOX00788p KOX00789p KOX00790p KOX00797p KOX00805p KOX00807p KOX00809p KOX00811p KOX00814p KOX00823p KOX00828p KOX00831p KOX00840p KOX00853p KOX00854p KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00883p KOX00886p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C12H15N2O2 (219)	C11H12NO2 (190)	b
C12H15N2O2 (219)	C11H12NO (174)	c
C12H15N2O2 (219)	C10H12NO (162)	a
C12H15N2O2 (219)	C6H7 (79)	e
C12H15N2O2 (219)	C6H5 (77)	e
C12H15N2O2 (219)	C5H5 (65)	f

[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。

KOX00834p	219 C12H15N2O2	190 C11H12NO2	174 C11H12NO	162 C10H12NO	134 C9H12N	115 C4H7N2O2	106 C7H8N	91 C7H7	79 C6H7	77 C6H5	65 C5H5
219 C12H15N2O2
190 C11H12NO2	CH3N
174 C11H12NO	CH3NO	O
162 C10H12NO	C2H3NO	CO	C
134 C9H12N	C3H3NO2	C2O2	C2O	CO
115 C4H7N2O2	C8H8
106 C7H8N	C5H7NO2	C4H4O2	C4H4O	C3H4O	C2H4
91 C7H7	C5H8N2O2	C4H5NO2	C4H5NO	C3H5NO	C2H5N		HN
79 C6H7	C6H8N2O2	C5H5NO2	C5H5NO	C4H5NO	C3H5N		CHN	C
77 C6H5	C6H10N2O2	C5H7NO2	C5H7NO	C4H7NO	C3H7N		CH3N	CH2	H2
65 C5H5	C7H10N2O2	C6H7NO2	C6H7NO	C5H7NO	C4H7N		C2H3N	C2H2	CH2	C

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

Next Page>(pos/neg) Last Page>>(pos/neg)

@@ Line 2: / Line 2: @@
 &&C12H15N2O2&&C11H12NO2&&C11H12NO&&C10H12NO&&C9H12N&&C4H7N2O2&&C7H8N&&C7H7&&C6H7&&C6H5&&C5H5&&
-&&C12H15N2O2: C11H12NO2 C11H12NO C10H12NO C6H7 C6H5 C5H5
+&&C12H15N2O2: C11H12NO2
-&&C11H12NO2: C10H12NO C6H7 C6H5 C5H5
+b
-&&C11H12NO: C6H7 C6H5 C5H5
+&&C12H15N2O2: C11H12NO
+c
+&&C12H15N2O2: C10H12NO
+a
+&&C12H15N2O2: C4H7N2O2**
+&&C12H15N2O2: C6H7
+e
+&&C12H15N2O2: C6H5
+e
+&&C12H15N2O2: C5H5
+f
+&&C11H12NO2: C11H12NO* C10H12NO C6H7 C6H5 C5H5
+&&C11H12NO: C10H12NO* C6H7 C6H5 C5H5
 &&C10H12NO: C6H7 C6H5 C5H5
+&&C7H8N: C7H7*
+&&C7H7: C6H7* C6H5*
+&&C6H7: C6H5* C5H5*
+&&C6H5: C5H5*
 }}

IDs and Links
MassBank	Primidone
CAS	125-33-7
Keio ID	P061+

MassBank:KOX00834p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Primidone

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

Personal tools

Namespaces

Variants

Views

Actions

Search

Navigation

metabolites

Toolbox