Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Aminopyrine

[edit] Top 10 Similar Molecules of Aminopyrine

Ranking	About scoring
KOX00890p Score:27.12 KOX00912p Score:21.37 KOX00811p Score:19.55 KOX00604p Score:19.16 KOX00655p Score:15.69 KOX00687p Score:15.3 KOX00343p Score:15.22 KOX00647p Score:15.05 KOX00866p Score:13.85 KOX00694p Score:12.96	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 C11H11N2O: KOX00539p KOX00604p Pages Related to Peak C10H13N2O: KOX00866p Pages Related to Peak C10H11N2: KOX00539p KOX00582p KOX00604p KOX00694p Pages Related to Peak C9H13N2: KOX00912p Pages Related to Peak C8H8N: KOX00053p KOX00157p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00385p KOX00424p KOX00433p KOX00485p KOX00514p KOX00526p KOX00580p KOX00582p KOX00604p KOX00647p KOX00657p KOX00658p KOX00674p KOX00687p KOX00703p KOX00718p KOX00723p KOX00766p KOX00797p KOX00798p KOX00808p KOX00809p KOX00811p KOX00836p KOX00859p KOX00866p KOX00870p KOX00878p KOX00879p KOX00880p KOX00912p Pages Related to Peak C6H13N2: KOX00873p KOX00890p Pages Related to Peak C5H10N2: KOX00552p KOX00890p Pages Related to Peak C5H9N2: KOX00024p KOX00086p KOX00138p KOX00229p KOX00233p KOX00308p KOX00396p KOX00478p KOX00552p KOX00653p KOX00676p KOX00750p KOX00791p KOX00793p KOX00848p KOX00911p Pages Related to Peak C6H8N: KOX00006p KOX00034p KOX00073p KOX00107p KOX00154p KOX00221p KOX00236p KOX00302p KOX00325p KOX00328p KOX00359p KOX00422p KOX00491p KOX00510p KOX00643p KOX00647p KOX00657p KOX00671p KOX00673p KOX00694p KOX00697p KOX00703p KOX00713p KOX00720p KOX00766p KOX00767p KOX00788p KOX00800p 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 KOX00657p KOX00673p KOX00694p KOX00703p KOX00704p KOX00720p KOX00767p KOX00788p KOX00789p KOX00797p KOX00800p KOX00804p KOX00809p KOX00811p KOX00823p KOX00824p KOX00831p KOX00840p KOX00854p KOX00863p KOX00866p KOX00877p KOX00879p KOX00886p KOX00912p Pages Related to Peak C5H10N: KOX00041p KOX00069p KOX00095p KOX00343p KOX00347p KOX00393p KOX00420p KOX00459p KOX00508p KOX00647p KOX00654p KOX00655p KOX00659p KOX00661p KOX00687p KOX00766p KOX00769p KOX00811p KOX00861p KOX00862p KOX00868p KOX00890p KOX00900p Pages Related to Peak C5H8N: KOX00079p KOX00086p KOX00343p KOX00518p KOX00649p KOX00663p KOX00687p KOX00747p KOX00776p KOX00811p KOX00830p KOX00865p KOX00875p KOX00887p KOX00900p KOX00911p Pages Related to Peak C4H10N: KOX00024p KOX00029p KOX00079p KOX00100p KOX00233p KOX00464p KOX00478p KOX00623p KOX00641p KOX00653p KOX00654p KOX00655p KOX00669p KOX00676p KOX00762p KOX00773p KOX00818p KOX00820p KOX00848p KOX00854p KOX00856p KOX00861p KOX00862p KOX00908p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00652p KOX00655p KOX00676p KOX00679p KOX00698p KOX00736p KOX00743p KOX00752p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00873p KOX00874p KOX00890p KOX00912p Pages Related to Peak C3H8N: KOX00039p KOX00059p KOX00113p KOX00131p KOX00215p KOX00335p KOX00343p KOX00364p KOX00464p KOX00642p KOX00644p KOX00654p KOX00655p KOX00661p KOX00665p KOX00679p KOX00680p KOX00681p KOX00682p KOX00685p KOX00686p KOX00688p KOX00696p KOX00699p KOX00700p KOX00709p KOX00744p KOX00754p KOX00755p KOX00762p KOX00771p KOX00796p KOX00798p KOX00838p KOX00856p KOX00861p KOX00862p KOX00875p KOX00884p KOX00895p KOX00908p Pages Related to Peak C3H6N: KOX00022p KOX00041p KOX00051p KOX00056p KOX00062p KOX00064p KOX00069p KOX00079p KOX00095p KOX00136p KOX00167p KOX00225p KOX00229p KOX00236p KOX00254p KOX00259p KOX00268p KOX00270p KOX00276p KOX00281p KOX00308p KOX00313p KOX00343p KOX00347p KOX00364p KOX00393p KOX00406p KOX00420p KOX00454p KOX00476p KOX00508p KOX00514p KOX00529p KOX00586p KOX00590p KOX00593p KOX00623p KOX00636p KOX00640p KOX00662p KOX00680p KOX00681p KOX00684p KOX00687p KOX00688p KOX00698p KOX00700p KOX00702p KOX00713p KOX00723p KOX00729p KOX00733p KOX00743p KOX00749p KOX00761p KOX00762p KOX00769p KOX00778p KOX00779p KOX00793p KOX00802p KOX00803p KOX00808p KOX00822p KOX00827p KOX00838p KOX00856p KOX00874p KOX00875p KOX00876p KOX00887p KOX00888p KOX00890p KOX00900p KOX00905p KOX00911p

[edit] Annotations

Precursor	Product	Comments
C13H18N3O (232)	C12H14N3O (216)	d[e]
C13H18N3O (232)	C11H11N2O (187)	b
C13H18N3O (232)	C6H13N2 (113)	a
C13H18N3O (232)	C6H11N2 (111)	a
C13H18N3O (232)	C6H8N (94)	c+f
C13H18N3O (232)	C6H7N (93)	c+f,rad.
C13H18N3O (232)	C5H8N (82)	g
C11H11N2O (187)	C10H11N2 (159)	IT
C6H13N2 (113)	C5H10N2 (98)	IT
C6H13N2 (113)	C5H9N2 (97)	IT
C6H13N2 (113)	C5H8N (82)	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。

KOX00648p	232 C13H18N3O	216 C12H14N3O	202 C11H12N3O	187 C11H11N2O	177 C10H13N2O	159 C10H11N2	149 C9H13N2	118 C8H8N	113 C6H13N2	111 C6H11N2	98 C5H10N2	97 C5H9N2	94 C6H8N	93 C6H7N	84 C5H10N	82 C5H8N	72 C4H10N	70 C4H8N	58 C3H8N	56 C3H6N
232 C13H18N3O
216 C12H14N3O	CH4
202 C11H12N3O	C2H6	CH2
187 C11H11N2O	C2H7N	CH3N	HN
177 C10H13N2O	C3H5N	C2HN
159 C10H11N2	C3H7NO	C2H3NO	CHNO	CO	H2O
149 C9H13N2	C4H5NO	C3HNO			CO
118 C8H8N	C5H10N2O	C4H6N2O	C3H4N2O	C3H3NO	C2H5NO	C2H3N	CH5N
113 C6H13N2	C7H5NO	C6HNO			C4O		C3
111 C6H11N2	C7H7NO	C6H3NO	C5HNO	C5O	C4H2O	C4	C3H2		H2
98 C5H10N2	C8H8NO	C7H4NO	C6H2NO	C6HO	C5H3O	C5H	C4H3		CH3	CH
97 C5H9N2	C8H9NO	C7H5NO	C6H3NO	C6H2O	C5H4O	C5H2	C4H4		CH4	CH2	H
94 C6H8N	C7H10N2O	C6H6N2O	C5H4N2O	C5H3NO	C4H5NO	C4H3N	C3H5N	C2	H5N	H3N
93 C6H7N	C7H11N2O	C6H7N2O	C5H5N2O	C5H4NO	C4H6NO	C4H4N	C3H6N	C2H	H6N	H4N			H
84 C5H10N	C8H8N2O	C7H4N2O	C6H2N2O	C6HNO	C5H3NO	C5HN	C4H3N		CH3N	CHN	N
82 C5H8N	C8H10N2O	C7H6N2O	C6H4N2O	C6H3NO	C5H5NO	C5H3N	C4H5N	C3	CH5N	CH3N	H2N	HN	C		H2
72 C4H10N	C9H8N2O	C8H4N2O	C7H2N2O	C7HNO	C6H3NO	C6HN	C5H3N		C2H3N	C2HN	CN				C
70 C4H8N	C9H10N2O	C8H6N2O	C7H4N2O	C7H3NO	C6H5NO	C6H3N	C5H5N	C4	C2H5N	C2H3N	CH2N	CHN	C2		CH2	C	H2
58 C3H8N	C10H10N2O	C9H6N2O	C8H4N2O	C8H3NO	C7H5NO	C7H3N	C6H5N	C5	C3H5N	C3H3N	C2H2N	C2HN	C3		C2H2	C2	CH2	C
56 C3H6N	C10H12N2O	C9H8N2O	C8H6N2O	C8H5NO	C7H7NO	C7H5N	C6H7N	C5H2	C3H7N	C3H5N	C2H4N	C2H3N	C3H2	C3H	C2H4	C2H2	CH4	CH2	H2

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

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

@@ Line 2: / Line 2: @@
 &&C13H18N3O&&C12H14N3O&&C11H12N3O&&C11H11N2O&&C10H13N2O&&C10H11N2&&C9H13N2&&C8H8N&&C6H13N2&&C6H11N2&&C5H10N2&&C5H9N2&&C6H8N&&C6H7N&&C5H10N&&C5H8N&&C4H10N&&C4H8N&&C3H8N&&C3H6N&&
-&&C13H18N3O: C12H14N3O C11H11N2O C6H13N2 C6H11N2 C6H8N C6H7N C5H8N
+&&C13H18N3O: C12H14N3O
-&&C12H14N3O: C11H11N2O C5H10N2 C5H9N2 C6H8N C6H7N
+d[e]
-&&C11H11N2O: C10H11N2 C6H8N C6H7N C5H8N
+&&C13H18N3O: C11H11N2O
-&&C10H11N2: C6H8N C6H7N
+b
-&&C6H13N2: C5H10N2 C5H9N2 C5H8N
+&&C13H18N3O: C10H11N2**
-&&C6H11N2: C5H8N
+&&C13H18N3O: C6H13N2
-&&C5H10N2: C5H8N
+a
+&&C13H18N3O: C6H11N2
+a
+&&C13H18N3O: C5H10N2** C5H9N2**
+&&C13H18N3O: C6H8N
+c+f
+&&C13H18N3O: C6H7N
+c+f,rad.
+&&C13H18N3O: C5H8N
+g
+&&C12H14N3O: C11H12N3O* C11H11N2O C10H11N2** C6H13N2* C6H11N2* C5H10N2 C5H9N2 C6H8N C6H7N C5H8N
+&&C11H12N3O: C11H11N2O*
+&&C11H11N2O: C10H11N2
+IT
+&&C11H11N2O: C6H11N2* C5H10N2* C5H9N2* C6H8N C6H7N C5H8N*
+&&C10H11N2: C6H11N2* C5H10N2* C5H9N2* C6H8N C6H7N C5H8N*
+&&C9H13N2: C6H13N2*
+&&C8H8N: C6H8N* C5H8N* C4H8N* C3H8N*
+&&C6H13N2: C6H11N2*
+&&C6H13N2: C5H10N2
+IT
+&&C6H13N2: C5H9N2
+IT
+&&C6H13N2: C6H8N* C6H7N*
+&&C6H13N2: C5H8N
+IT
+&&C6H11N2: C5H10N2* C5H9N2* C6H8N* C6H7N* C5H8N
+&&C5H10N2: C5H9N2* C5H10N* C5H8N
+&&C5H9N2: C5H8N*
+&&C6H8N: C6H7N* C5H8N* C4H8N* C3H8N*
+&&C5H10N: C5H8N* C4H10N* C4H8N*
+&&C5H8N: C4H8N* C3H8N*
+&&C4H10N: C4H8N* C3H8N*
+&&C4H8N: C3H8N* C3H6N*
+&&C3H8N: C3H6N*
 }}

IDs and Links
MassBank	Aminopyrine
CAS	58-15-1
Keio ID	A069+

MassBank:KOX00648p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Aminopyrine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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