Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Eflornithine

[edit] Top 10 Similar Molecules of Eflornithine

Ranking	About scoring
KOX00736p Score:14.85 KOX00788p Score:13.11 KOX00912p Score:11.56 KOX00676p Score:10.98 KOX00508p Score:9.92 KOX00911p Score:9.24 KOX00343p Score:8.67 KOX00863p Score:7.72 KOX00853p Score:7.72 KOX00825p Score:7.72	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 C5H6N: KOX00032p KOX00107p KOX00131p KOX00201p KOX00231p KOX00302p KOX00385p KOX00462p KOX00510p KOX00531p KOX00547p KOX00577p KOX00647p KOX00676p KOX00720p KOX00736p KOX00739p KOX00748p KOX00757p KOX00760p KOX00775p KOX00788p KOX00810p KOX00811p KOX00823p KOX00825p KOX00840p KOX00853p KOX00863p KOX00911p KOX00912p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00648p KOX00652p KOX00655p KOX00676p KOX00679p KOX00698p KOX00736p KOX00743p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00873p KOX00874p KOX00890p KOX00912p Pages Related to Peak C4H7N: KOX00508p Pages Related to Peak C4H5N: KOX00062p KOX00343p KOX00749p KOX00788p KOX00831p KOX00911p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00284p KOX00343p KOX00347p KOX00368p KOX00374p KOX00391p KOX00393p KOX00420p KOX00445p KOX00464p KOX00471p KOX00478p KOX00508p KOX00558p KOX00623p KOX00633p KOX00641p KOX00645p KOX00655p KOX00664p KOX00666p KOX00669p KOX00672p KOX00676p KOX00682p KOX00691p KOX00710p KOX00711p KOX00721p KOX00724p KOX00731p KOX00736p KOX00758p KOX00762p KOX00769p KOX00770p KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p Pages Related to Peak C4H5: KOX00006p KOX00032p KOX00079p KOX00124p KOX00138p KOX00241p KOX00245p KOX00292p KOX00302p KOX00422p KOX00462p KOX00474p KOX00487p KOX00491p KOX00672p KOX00691p KOX00719p KOX00720p KOX00736p KOX00757p KOX00760p KOX00775p KOX00784p KOX00788p KOX00810p KOX00811p KOX00817p KOX00825p KOX00853p KOX00863p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C6H13F2N2O2 (183)	C6H10F2NO2 (166)	-NH3
C6H13F2N2O2 (183)	C6H11F2N2O (165)	d
C6H13F2N2O2 (183)	CHF2 (51)	e
C6H10F2NO2 (166)	C5H8F2N (120)	IT
C5H8F2N (120)	C5H7FN (100)	IT
C5H8F2N (120)	C4H8N (70)	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。

KOX00752p	183 C6H13F2N2O2	166 C6H10F2NO2	165 C6H11F2N2O	120 C5H8F2N	105 C4H6FO2	100 C5H7FN	80 C5H6N	78 C2H2F2N	73 C4H6F	70 C4H8N	69 C4H7N	67 C4H5N	55 C4H7	53 C4H5	51 CHF2
183 C6H13F2N2O2
166 C6H10F2NO2	H3N
165 C6H11F2N2O	H2O
120 C5H8F2N	CH5NO2	CH2O2	CH3NO
105 C4H6FO2	C2H7FN2	C2H4FN
100 C5H7FN	CH6FNO2	CH3FO2	CH4FNO	HF
80 C5H6N	CH7F2NO2	CH4F2O2	CH5F2NO	H2F2		HF
78 C2H2F2N	C4H11NO2	C4H8O2	C4H9NO	C3H6
73 C4H6F	C2H7FN2O2	C2H4FNO2	C2H5FN2O	CH2FN	O2	CHN
70 C4H8N	C2H5F2NO2	C2H2F2O2	C2H3F2NO	CF2
69 C4H7N	C2H6F2NO2	C2H3F2O2	C2H4F2NO	CHF2		CF				H
67 C4H5N	C2H8F2NO2	C2H5F2O2	C2H6F2NO	CH3F2		CH2F	CH			H3	H2
55 C4H7	C2H6F2N2O2	C2H3F2NO2	C2H4F2N2O	CHF2N		CFN				HN	N
53 C4H5	C2H8F2N2O2	C2H5F2NO2	C2H6F2N2O	CH3F2N	HFO2	CH2FN	CHN		HF	H3N	H2N	N	H2
51 CHF2	C5H12N2O2	C5H9NO2	C5H10N2O	C4H7N				CHN

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

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

@@ Line 2: / Line 2: @@
 &&C6H13F2N2O2&&C6H10F2NO2&&C6H11F2N2O&&C5H8F2N&&C4H6FO2&&C5H7FN&&C5H6N&&C2H2F2N&&C4H6F&&C4H8N&&C4H7N&&C4H5N&&C4H7&&C4H5&&CHF2&&
-&&C6H13F2N2O2: C6H10F2NO2 C6H11F2N2O CHF2
+&&C6H13F2N2O2: C6H10F2NO2
-&&C6H10F2NO2: C5H8F2N CHF2
+-NH3
-&&C6H11F2N2O: CHF2
+&&C6H13F2N2O2: C6H11F2N2O
-&&C5H8F2N: C5H7FN C2H2F2N C4H8N C4H7N C4H5N CHF2
+d
-&&C5H7FN: C5H6N C4H5N
+&&C6H13F2N2O2: C5H8F2N** C5H7FN** C5H6N** C2H2F2N** C4H8N** C4H7N** C4H5N** C4H5**
-&&C5H6N: C4H5
+&&C6H13F2N2O2: CHF2
-&&C4H8N: C4H5
+e
-&&C4H7N: C4H5
+&&C6H10F2NO2: C5H8F2N
+IT
+&&C6H10F2NO2: C5H7FN** C5H6N** C2H2F2N** C4H8N** C4H7N** C4H5N** C4H5** CHF2
+&&C6H11F2N2O: C5H8F2N** C5H7FN** C5H6N** C2H2F2N** C4H8N** C4H7N** C4H5N** C4H5** CHF2
+&&C5H8F2N: C5H7FN
+IT
+&&C5H8F2N: C5H6N** C2H2F2N
+&&C5H8F2N: C4H8N
+IT
+&&C5H8F2N: C4H7N C4H5N C4H5** CHF2
+&&C5H7FN: C5H6N C4H7N* C4H5N C4H5**
+&&C5H6N: C4H5N* C4H5
+&&C4H8N: C4H7N* C4H5N* C4H7* C4H5
+&&C4H7N: C4H5N* C4H7* C4H5
+&&C4H5N: C4H5*
+&&C4H7: C4H5*
 }}

IDs and Links
MassBank	Eflornithine
CAS	67037-37-0
Keio ID	H097+

MassBank:KOX00752p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Eflornithine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

Personal tools

Namespaces

Variants

Views

Actions

Search

Navigation

metabolites

Toolbox