Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Naproxen

[edit] Top 10 Similar Molecules of Naproxen

Ranking	About scoring
KOX00879p Score:18.98 KOX00797p Score:18.98 KOX00807p Score:13.44 KOX00674p Score:13.44 KOX00900p Score:12.29 KOX00645p Score:12.29 KOX00856p Score:12.17 KOX00832p Score:11.25 KOX00808p Score:10.39 KOX00604p Score:10.39	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 C12H8: KOX00449p Pages Related to Peak C11H9: KOX00856p Pages Related to Peak C10H7: KOX00238p KOX00797p KOX00832p KOX00856p KOX00879p Pages Related to Peak C9H7: KOX00122p KOX00325p KOX00328p KOX00377p KOX00379p KOX00424p KOX00433p KOX00582p KOX00604p KOX00674p KOX00767p KOX00797p KOX00798p KOX00807p KOX00808p KOX00866p KOX00879p Pages Related to Peak C7H7: KOX00053p KOX00120p KOX00122p KOX00126p KOX00154p KOX00189p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00424p KOX00433p KOX00456p 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 KOX00834p KOX00836p KOX00857p KOX00859p KOX00870p KOX00872p KOX00875p KOX00878p KOX00879p KOX00880p KOX00883p KOX00900p 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 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 KOX00834p KOX00840p KOX00859p KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p Pages Related to Peak C4H9: KOX00213p KOX00272p KOX00306p KOX00401p KOX00536p KOX00616p KOX00623p KOX00633p KOX00672p KOX00702p KOX00705p KOX00730p KOX00739p KOX00819p KOX00851p KOX00892p KOX00909p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00284p KOX00343p KOX00347p KOX00368p KOX00374p KOX00391p KOX00393p KOX00420p KOX00445p KOX00464p 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 KOX00770p KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p Pages Related to Peak C4H3: KOX00006p KOX00034p KOX00041p KOX00073p KOX00118p KOX00189p KOX00221p KOX00231p KOX00236p KOX00317p KOX00328p KOX00359p KOX00371p KOX00374p KOX00379p KOX00381p KOX00456p KOX00462p KOX00485p KOX00501p KOX00510p KOX00514p KOX00580p KOX00628p KOX00638p KOX00643p KOX00645p KOX00665p KOX00670p KOX00671p KOX00673p KOX00674p KOX00690p KOX00694p KOX00697p KOX00713p KOX00719p KOX00720p KOX00725p KOX00730p KOX00738p KOX00745p KOX00754p KOX00757p KOX00760p KOX00763p KOX00788p KOX00789p KOX00790p KOX00797p KOX00807p KOX00809p KOX00810p KOX00811p KOX00814p KOX00825p KOX00826p KOX00828p KOX00831p KOX00832p KOX00840p KOX00847p KOX00859p KOX00860p KOX00866p KOX00870p KOX00872p KOX00879p KOX00886p KOX00900p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C14H15O3 (231)	C13H13O (185)	b
C13H13O (185)	C12H10O (170)	IT
C13H13O (185)	C12H9 (153)	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。

KOX00471p	231 C14H15O3	214 C14H14O2	185 C13H13O	170 C12H10O	169 C12H9O	158 C10H6O2	153 C12H9	152 C12H8	142 C11H10	141 C11H9	129 C10H9	128 C10H8	127 C10H7	115 C9H7	91 C7H7	77 C6H5	57 C4H9	55 C4H7	51 C4H3
231 C14H15O3
214 C14H14O2	HO
185 C13H13O	CH2O2	CHO
170 C12H10O	C2H5O2	C2H4O	CH3
169 C12H9O	C2H6O2	C2H5O	CH4	H
158 C10H6O2	C4H9O	C4H8
153 C12H9	C2H6O3	C2H5O2	CH4O	HO	O
152 C12H8	C2H7O3	C2H6O2	CH5O	H2O	HO		H
142 C11H10	C3H5O3	C3H4O2	C2H3O	CO
141 C11H9	C3H6O3	C3H5O2	C2H4O	CHO	CO		C		H
129 C10H9	C4H6O3	C4H5O2	C3H4O	C2HO	C2O		C2		CH	C
128 C10H8	C4H7O3	C4H6O2	C3H5O	C2H2O	C2HO		C2H	C2	CH2	CH	H
127 C10H7	C4H8O3	C4H7O2	C3H6O	C2H3O	C2H2O		C2H2	C2H	CH3	CH2	H2	H
115 C9H7	C5H8O3	C5H7O2	C4H6O	C3H3O	C3H2O		C3H2	C3H	C2H3	C2H2	CH2	CH	C
91 C7H7	C7H8O3	C7H7O2	C6H6O	C5H3O	C5H2O		C5H2	C5H	C4H3	C4H2	C3H2	C3H	C3	C2
77 C6H5	C8H10O3	C8H9O2	C7H8O	C6H5O	C6H4O	C4HO2	C6H4	C6H3	C5H5	C5H4	C4H4	C4H3	C4H2	C3H2	CH2
57 C4H9	C10H6O3	C10H5O2	C9H4O	C8HO	C8O		C8		C7H	C7	C6
55 C4H7	C10H8O3	C10H7O2	C9H6O	C8H3O	C8H2O		C8H2	C8H	C7H3	C7H2	C6H2	C6H	C6	C5	C3		H2
51 C4H3	C10H12O3	C10H11O2	C9H10O	C8H7O	C8H6O	C6H3O2	C8H6	C8H5	C7H7	C7H6	C6H6	C6H5	C6H4	C5H4	C3H4	C2H2	H6	H4

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

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@@ Line 3: / Line 3: @@
 &&C14H15O3: C13H13O
-&&C13H13O: C12H10O C12H9O C12H9 C12H8
+b
-&&C12H10O: C12H9 C12H8
+&&C14H15O3: C12H10O** C12H9O** C12H9** C12H8** C11H10** C11H9** C10H9** C10H8** C10H7**
-&&C12H9O: C12H8
+&&C13H13O: C12H10O
-&&C12H9: C10H8 C10H7
+IT
-&&C12H8: C10H7
+&&C13H13O: C12H9O
-&&C11H10: C10H7
+&&C13H13O: C12H9
+IT
+&&C13H13O: C12H8 C11H10** C11H9** C10H9** C10H8** C10H7**
+&&C12H10O: C12H9O* C12H9 C12H8 C11H10** C11H9** C10H9** C10H8** C10H7**
+&&C12H9O: C12H9* C12H8 C11H9** C10H9** C10H8** C10H7**
+&&C12H9: C12H8* C11H9* C10H9* C10H8 C10H7 C4H9*
+&&C12H8: C10H8* C10H7
+&&C11H10: C11H9* C10H9* C10H8* C10H7
+&&C11H9: C10H9* C10H8* C10H7* C4H9*
+&&C10H9: C10H8* C10H7* C9H7* C4H9*
+&&C10H8: C10H7* C9H7*
+&&C10H7: C9H7* C7H7* C4H7*
+&&C9H7: C7H7* C4H7*
+&&C7H7: C6H5* C4H7*
+&&C4H9: C4H7* C4H3*
+&&C4H7: C4H3*
 }}

IDs and Links
MassBank	Naproxen
CAS	22204-53-1
Keio ID	N018+

MassBank:KOX00471p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Naproxen

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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