Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Kynurenine

[edit] Top 10 Similar Molecules of Kynurenine

Ranking	About scoring
KOX00359p Score:25.81 KOX00647p Score:25.41 KOX00840p Score:21.66 KOX00811p Score:20.96 KOX00628p Score:20.77 KOX00809p Score:20.09 KOX00236p Score:20.09 KOX00491p Score:19.78 KOX00582p Score:19.3 KOX00859p Score:18.22	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 C8H8NO2: KOX00491p Pages Related to Peak C9H8NO: KOX00359p KOX00582p KOX00723p KOX00859p Pages Related to Peak C8H10NO: KOX00073p KOX00398p KOX00580p KOX00667p KOX00687p KOX00880p Pages Related to Peak C8H6NO: KOX00628p Pages Related to Peak C7H6NO: KOX00006p KOX00034p KOX00131p KOX00371p KOX00385p KOX00628p KOX00673p KOX00748p KOX00840p KOX00854p KOX00855p KOX00858p KOX00886p Pages Related to Peak C8H8N: KOX00053p KOX00157p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00385p KOX00424p KOX00433p KOX00485p KOX00514p KOX00526p KOX00580p KOX00582p KOX00604p KOX00647p KOX00648p KOX00657p KOX00658p KOX00674p KOX00687p KOX00703p KOX00718p KOX00723p KOX00797p KOX00798p KOX00808p KOX00809p KOX00811p KOX00836p KOX00859p KOX00866p KOX00870p KOX00878p KOX00879p KOX00880p KOX00912p Pages Related to Peak C7H6N: KOX00236p KOX00359p KOX00379p KOX00381p KOX00422p KOX00491p KOX00510p KOX00604p KOX00628p KOX00637p KOX00647p KOX00657p KOX00670p KOX00713p KOX00797p KOX00800p KOX00804p KOX00808p KOX00809p KOX00811p KOX00817p KOX00832p KOX00840p KOX00860p KOX00866p KOX00872p KOX00877p KOX00878p KOX00879p KOX00912p 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 KOX00767p KOX00788p KOX00800p KOX00805p KOX00809p KOX00811p KOX00815p KOX00840p KOX00868p KOX00886p KOX00890p KOX00912p Pages Related to Peak C6H6N: KOX00006p KOX00032p KOX00034p KOX00107p KOX00118p KOX00131p KOX00221p KOX00231p KOX00302p KOX00371p KOX00467p KOX00577p KOX00620p KOX00647p KOX00656p KOX00673p KOX00693p KOX00697p KOX00704p KOX00748p KOX00788p KOX00789p KOX00823p KOX00824p KOX00828p KOX00831p KOX00840p KOX00853p KOX00854p KOX00863p KOX00877p KOX00886p 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 KOX00770p KOX00790p KOX00797p KOX00798p KOX00807p KOX00808p KOX00809p KOX00834p KOX00836p KOX00857p KOX00859p KOX00870p KOX00872p KOX00875p KOX00878p KOX00879p KOX00880p KOX00883p KOX00900p Pages Related to Peak C5H10N: KOX00041p KOX00069p KOX00095p KOX00343p KOX00347p KOX00393p KOX00420p KOX00459p KOX00508p KOX00647p KOX00648p KOX00654p KOX00655p KOX00659p KOX00661p KOX00687p KOX00769p KOX00811p KOX00861p KOX00862p KOX00868p KOX00890p 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 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 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 C2H4NO2: KOX00012p KOX00014p KOX00024p KOX00029p KOX00051p KOX00069p KOX00086p KOX00122p KOX00140p KOX00167p KOX00251p KOX00254p KOX00268p KOX00288p KOX00308p KOX00335p KOX00343p KOX00393p KOX00406p KOX00454p KOX00499p KOX00582p KOX00593p KOX00646p KOX00676p KOX00702p KOX00729p KOX00748p 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 KOX00775p KOX00784p KOX00788p KOX00789p KOX00790p KOX00797p KOX00805p KOX00807p KOX00809p KOX00811p KOX00814p KOX00823p KOX00828p KOX00831p KOX00834p KOX00840p KOX00853p KOX00854p KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00883p KOX00886p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C10H13N2O3 (209)	C10H10NO3 (192)	-NH3
C10H13N2O3 (209)	C8H10NO (136)	d
C10H13N2O3 (209)	C8H6NO (132)	d
C10H13N2O3 (209)	C7H6NO (120)	e
C10H13N2O3 (209)	C6H8N (94)	g
C10H13N2O3 (209)	C6H6N (92)	g
C10H13N2O3 (209)	C2H4NO2 (74)	i
C10H10NO3 (192)	C10H8NO2 (174)	IT
C10H10NO3 (192)	C9H8NO (146)	IT
C10H10NO3 (192)	C8H10NO (136)	IT
C10H10NO3 (192)	C6H8N (94)	IT
C10H8NO2 (174)	C9H8NO (146)	IT
C10H8NO2 (174)	C8H6NO (132)	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。

KOX00766p	209 C10H13N2O3	192 C10H10NO3	174 C10H8NO2	150 C8H8NO2	146 C9H8NO	136 C8H10NO	132 C8H6NO	120 C7H6NO	118 C8H8N	104 C7H6N	94 C6H8N	92 C6H6N	91 C7H7	84 C5H10N	77 C6H5	74 C2H4NO2	65 C5H5
209 C10H13N2O3
192 C10H10NO3	H3N
174 C10H8NO2	H5NO	H2O
150 C8H8NO2	C2H5NO	C2H2O	C2
146 C9H8NO	CH5NO2	CH2O2	CO
136 C8H10NO	C2H3NO2	C2O2
132 C8H6NO	C2H7NO2	C2H4O2	C2H2O	H2O	CH2	H4
120 C7H6NO	C3H7NO2	C3H4O2	C3H2O	CH2O	C2H2	CH4	C
118 C8H8N	C2H5NO3	C2H2O3	C2O2	O2	CO	H2O
104 C7H6N	C3H7NO3	C3H4O3	C3H2O2	CH2O2	C2H2O	CH4O	CO	O	CH2
94 C6H8N	C4H5NO3	C4H2O3	C4O2	C2O2	C3O	C2H2O			C2
92 C6H6N	C4H7NO3	C4H4O3	C4H2O2	C2H2O2	C3H2O	C2H4O	C2O	CO	C2H2	C	H2
91 C7H7	C3H6N2O3	C3H3NO3	C3HNO2	CHNO2	C2HNO	CH3NO			CHN
84 C5H10N	C5H3NO3	C5O3				C3O
77 C6H5	C4H8N2O3	C4H5NO3	C4H3NO2	C2H3NO2	C3H3NO	C2H5NO	C2HNO	CHNO	C2H3N	CHN	H3N	HN	CH2
74 C2H4NO2	C8H9NO	C8H6O	C8H4	C6H4
65 C5H5	C5H8N2O3	C5H5NO3	C5H3NO2	C3H3NO2	C4H3NO	C3H5NO	C3HNO	C2HNO	C3H3N	C2HN	CH3N	CHN	C2H2	H5N	C

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

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 &&C10H13N2O3&&C10H10NO3&&C10H8NO2&&C8H8NO2&&C9H8NO&&C8H10NO&&C8H6NO&&C7H6NO&&C8H8N&&C7H6N&&C6H8N&&C6H6N&&C7H7&&C5H10N&&C6H5&&C2H4NO2&&C5H5&&
-&&C10H13N2O3: C10H10NO3 C10H8NO2** C9H8NO** C8H10NO C8H6NO C7H6NO C8H8N** C7H6N** C6H8N C6H6N C7H7** C6H5** C2H4NO2 C5H5**
+&&C10H13N2O3: C10H10NO3
-&&C10H10NO3: C10H8NO2 C9H8NO C8H10NO C8H6NO C7H6NO C8H8N** C7H6N** C6H8N C6H6N C7H7** C6H5** C2H4NO2 C5H5**
+-NH3
-&&C10H8NO2: C8H8NO2* C9H8NO C8H6NO C7H6NO C8H8N** C7H6N** C6H8N C6H6N C7H7** C6H5** C2H4NO2 C5H5**
+&&C10H13N2O3: C10H8NO2** C9H8NO**
+&&C10H13N2O3: C8H10NO
+d
+&&C10H13N2O3: C8H6NO
+d
+&&C10H13N2O3: C7H6NO
+e
+&&C10H13N2O3: C8H8N** C7H6N**
+&&C10H13N2O3: C6H8N
+g
+&&C10H13N2O3: C6H6N
+g
+&&C10H13N2O3: C7H7** C6H5**
+&&C10H13N2O3: C2H4NO2
+i
+&&C10H13N2O3: C5H5**
+&&C10H10NO3: C10H8NO2
+IT
+&&C10H10NO3: C9H8NO
+IT
+&&C10H10NO3: C8H10NO
+IT
+&&C10H10NO3: C8H6NO C7H6NO C8H8N** C7H6N**
+&&C10H10NO3: C6H8N
+IT
+&&C10H10NO3: C6H6N C7H7** C6H5** C2H4NO2 C5H5**
+&&C10H8NO2: C8H8NO2*
+&&C10H8NO2: C9H8NO
+IT
+&&C10H8NO2: C8H6NO
+IT
+&&C10H8NO2: C7H6NO C8H8N** C7H6N** C6H8N C6H6N C7H7** C6H5** C2H4NO2 C5H5**
 &&C9H8NO: C8H6NO* C7H6NO C8H8N** C7H6N** C6H8N C6H6N C7H7** C6H5** C5H5**
 &&C8H10NO: C8H6NO* C7H6NO* C8H8N C7H6N** C6H8N C6H6N C7H7** C6H5** C5H5**

IDs and Links
MassBank	Kynurenine
CAS	343-65-7
Keio ID	K004+

MassBank:KOX00766p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Kynurenine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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