Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Trimethoprim

[edit] Top 10 Similar Molecules of Trimethoprim

Ranking	About scoring
KOX00420p Score:14.48 KOX00780p Score:9.92 KOX00858p Score:6.63 KOX00802p Score:6.23 KOX00799p Score:6.23 KOX00848p Score:4.55 KOX00781p Score:4.55 KOX00737p Score:4.55 KOX00676p Score:4.55 KOX00672p Score:4.55	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 C8H9N2O: KOX00858p Pages Related to Peak C5H7N4: KOX00780p KOX00799p Pages Related to Peak C7H7O: KOX00160p KOX00189p KOX00199p KOX00236p KOX00385p KOX00514p KOX00580p KOX00658p KOX00722p KOX00723p KOX00807p KOX00808p KOX00814p KOX00836p KOX00870p KOX00880p KOX00882p KOX00892p KOX00895p Pages Related to Peak C4H5N2: KOX00056p KOX00062p KOX00086p KOX00111p KOX00136p KOX00162p KOX00197p KOX00215p KOX00308p KOX00313p KOX00420p KOX00427p KOX00443p KOX00526p KOX00588p KOX00590p KOX00596p KOX00606p KOX00608p KOX00684p KOX00721p KOX00746p KOX00749p KOX00750p KOX00756p KOX00761p KOX00779p KOX00780p KOX00782p KOX00791p KOX00793p KOX00803p KOX00846p KOX00876p KOX00897p KOX00911p KOX00913p Pages Related to Peak C3H4N2: KOX00420p KOX00802p Pages Related to Peak CH6N3: KOX00029p KOX00124p KOX00233p KOX00276p KOX00347p KOX00420p KOX00478p KOX00652p KOX00653p KOX00666p KOX00672p KOX00676p KOX00737p KOX00781p KOX00848p

[edit] Annotations

Precursor	Product	Comments
C14H19N4O3 (291)	C13H15N4O3 (275)	-CH4
C14H19N4O3 (291)	C13H13N4O2 (257)	a[b][c]
C14H19N4O3 (291)	C5H7N4 (123)	d
C14H19N4O3 (291)	C4H7N4 (111)	e
C14H19N4O3 (291)	C4H6N4 (110)	e,rad.
C12H13N4O3 (261)	C12H13N4O2* (245)	ITinc
C12H13N4O3 (261)	C5H7N4 (123)	IT
C12H13N4O3 (261)	C4H7N4 (111)	IT
C12H14N4O (230)	C11H13N4 (201)	IT
C12H14N4O (230)	C5H7N4 (123)	IT
C12H14N4O (230)	C4H7N4 (111)	IT
C12H14N4O (230)	C4H6N4 (110)	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。

KOX00881p	291 C14H19N4O3	275 C13H15N4O3	261 C12H13N4O3	257 C13H13N4O2	245 C12H13N4O2	230 C12H14N4O	229 C12H13N4O	215 C11H11N4O	201 C11H13N4	187 C10H11N4	161 C8H9N4	149 C8H9N2O	123 C5H7N4	111 C4H7N4	110 C4H6N4	107 C7H7O	81 C4H5N2	68 C3H4N2	60 CH6N3
291 C14H19N4O3
275 C13H15N4O3	CH4
261 C12H13N4O3	C2H6	CH2
257 C13H13N4O2	CH6O	H2O
245 C12H13N4O2	C2H6O	CH2O	O	C
230 C12H14N4O	C2H5O2	CHO2
229 C12H13N4O	C2H6O2	CH2O2	O2	CO	O	H
215 C11H11N4O	C3H8O2	C2H4O2	CH2O2	C2H2O	CH2O	CH3	CH2
201 C11H13N4	C3H6O3	C2H2O3	CO3	C2O2	CO2	CHO	CO
187 C10H11N4	C4H8O3	C3H4O3	C2H2O3	C3H2O2	C2H2O2	C2H3O	C2H2O	CO	CH2
161 C8H9N4	C6H10O3	C5H6O3	C4H4O3	C5H4O2	C4H4O2	C4H5O	C4H4O	C3H2O	C3H4	C2H2
149 C8H9N2O	C6H10N2O2	C5H6N2O2	C4H4N2O2	C5H4N2O	C4H4N2O	C4H5N2	C4H4N2	C3H2N2
123 C5H7N4	C9H12O3	C8H8O3	C7H6O3	C8H6O2	C7H6O2	C7H7O	C7H6O	C6H4O	C6H6	C5H4	C3H2
111 C4H7N4	C10H12O3	C9H8O3	C8H6O3	C9H6O2	C8H6O2	C8H7O	C8H6O	C7H4O	C7H6	C6H4	C4H2		C
110 C4H6N4	C10H13O3	C9H9O3	C8H7O3	C9H7O2	C8H7O2	C8H8O	C8H7O	C7H5O	C7H7	C6H5	C4H3		CH	H
107 C7H7O	C7H12N4O2	C6H8N4O2	C5H6N4O2	C6H6N4O	C5H6N4O	C5H7N4	C5H6N4	C4H4N4				CH2N2
81 C4H5N2	C10H14N2O3	C9H10N2O3	C8H8N2O3	C9H8N2O2	C8H8N2O2	C8H9N2O	C8H8N2O	C7H6N2O	C7H8N2	C6H6N2	C4H4N2	C4H4O	CH2N2	H2N2	HN2
68 C3H4N2	C11H15N2O3	C10H11N2O3	C9H9N2O3	C10H9N2O2	C9H9N2O2	C9H10N2O	C9H9N2O	C8H7N2O	C8H9N2	C7H7N2	C5H5N2	C5H5O	C2H3N2	CH3N2	CH2N2		CH
60 CH6N3	C13H13NO3	C12H9NO3	C11H7NO3	C12H7NO2	C11H7NO2	C11H8NO	C11H7NO	C10H5NO	C10H7N	C9H5N	C7H3N		C4HN	C3HN	C3N

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

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 &&C14H19N4O3&&C13H15N4O3&&C12H13N4O3&&C13H13N4O2&&C12H13N4O2&&C12H14N4O&&C12H13N4O&&C11H11N4O&&C11H13N4&&C10H11N4&&C8H9N4&&C8H9N2O&&C5H7N4&&C4H7N4&&C4H6N4&&C7H7O&&C4H5N2&&C3H4N2&&CH6N3&&
-&&C14H19N4O3: C13H15N4O3 C13H13N4O2 C5H7N4 C4H7N4 C4H6N4
+&&C14H19N4O3: C13H15N4O3
-&&C13H15N4O3: C13H13N4O2 C5H7N4 C4H7N4 C4H6N4
+-CH4
-&&C12H13N4O3: C5H7N4 C4H7N4 C4H6N4
+&&C14H19N4O3: C12H13N4O3**
-&&C13H13N4O2: C12H13N4O C5H7N4 C4H7N4 C4H6N4
+&&C14H19N4O3: C13H13N4O2
-&&C12H14N4O: C11H13N4 C5H7N4 C4H7N4 C4H6N4
+a[b][c]
-&&C12H13N4O: C11H13N4 C5H7N4 C4H7N4 C4H6N4
+&&C14H19N4O3: C12H14N4O** C12H13N4O** C11H13N4**
-&&C11H13N4: C5H7N4 C4H7N4 C4H6N4
+&&C14H19N4O3: C5H7N4
+d
+&&C14H19N4O3: C4H7N4
+e
+&&C14H19N4O3: C4H6N4
+e,rad.
+&&C13H15N4O3: C12H13N4O3* C13H13N4O2 C12H14N4O** C12H13N4O** C11H13N4** C5H7N4 C4H7N4 C4H6N4
+&&C12H13N4O3: C12H13N4O2*
+ITinc
+&&C12H13N4O3: C12H13N4O* C11H13N4**
+&&C12H13N4O3: C5H7N4
+IT
+&&C12H13N4O3: C4H7N4
+IT
+&&C12H13N4O3: C4H6N4
+&&C13H13N4O2: C12H13N4O2* C12H13N4O C11H13N4** C5H7N4 C4H7N4 C4H6N4
+&&C12H13N4O2: C12H13N4O*
+&&C12H14N4O: C12H13N4O*
+&&C12H14N4O: C11H13N4
+IT
+&&C12H14N4O: C5H7N4
+IT
+&&C12H14N4O: C4H7N4
+IT
+&&C12H14N4O: C4H6N4
+IT
+&&C12H13N4O: C11H11N4O* C11H13N4 C5H7N4 C4H7N4 C4H6N4
+&&C11H13N4: C10H11N4* C5H7N4 C4H7N4 C4H6N4
+&&C5H7N4: C4H7N4* C4H6N4*
+&&C4H7N4: C4H6N4*
+&&C4H5N2: C3H4N2*
 }}

IDs and Links
MassBank	Trimethoprim
CAS	738-70-5
Keio ID	T033+

MassBank:KOX00881p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Trimethoprim

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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