Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

N-Acetylornithine

[edit] Top 10 Similar Molecules of N-Acetylornithine

Ranking	About scoring
KOX00818p Score:23.76 KOX00848p Score:22.53 KOX00029p Score:22.47 KOX00676p Score:21.25 KOX00474p Score:19.65 KOX00225p Score:19.5 KOX00868p Score:18.59 KOX00138p Score:18.42 KOX00478p Score:17.28 KOX00648p Score:12.44	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 C7H15N2O3: KOX00225p Pages Related to Peak C7H12NO3: KOX00225p KOX00868p Pages Related to Peak C7H13N2O2: KOX00225p Pages Related to Peak C7H10NO2: KOX00868p Pages Related to Peak C5H13N2O2: KOX00029p KOX00474p KOX00818p KOX00903p Pages Related to Peak C5H10NO2: KOX00029p KOX00064p KOX00138p KOX00440p KOX00474p KOX00478p KOX00487p KOX00635p KOX00676p KOX00818p KOX00848p Pages Related to Peak C5H11N2O: KOX00138p KOX00223p KOX00306p KOX00474p KOX00818p KOX00848p KOX00903p Pages Related to Peak C6H10NO: KOX00512p KOX00687p KOX00769p KOX00868p Pages Related to Peak C5H9N2: KOX00086p KOX00138p KOX00229p KOX00233p KOX00308p KOX00396p KOX00478p KOX00552p KOX00648p KOX00653p KOX00676p KOX00750p KOX00791p KOX00793p KOX00848p KOX00911p Pages Related to Peak C4H10NO: KOX00665p KOX00682p KOX00698p KOX00874p Pages Related to Peak C4H11N2: KOX00679p KOX00827p KOX00873p Pages Related to Peak C2H4NO2: KOX00012p KOX00014p 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 KOX00766p Pages Related to Peak C4H10N: KOX00029p KOX00079p KOX00100p KOX00233p KOX00464p KOX00478p KOX00623p KOX00641p KOX00648p KOX00653p KOX00654p KOX00655p KOX00669p KOX00676p KOX00762p KOX00773p KOX00818p KOX00820p KOX00848p KOX00854p KOX00856p KOX00861p KOX00862p KOX00908p Pages Related to Peak C4H8N: KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00648p KOX00652p KOX00655p KOX00676p KOX00679p KOX00698p KOX00736p KOX00743p KOX00752p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00873p KOX00874p KOX00890p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C7H15N2O3 (175)	C7H12NO3 (158)	c
C7H15N2O3 (175)	C7H13N2O2 (157)	-H2O
C7H15N2O3 (175)	C5H13N2O2 (133)	b
C7H15N2O3 (175)	C5H10NO2 (116)	b,-NH3
C7H12NO3 (158)	C7H10NO2 (140)	IT
C7H12NO3 (158)	C5H10NO2 (116)	IT
C7H12NO3 (158)	C6H10NO (112)	IT
C7H13N2O2 (157)	C7H11N2O (139)	IT
C7H13N2O2 (157)	C5H11N2O (115)	IT
C7H10NO2 (140)	C6H10NO (112)	IT
C5H11N2O (115)	C5H9N2 (97)	IT
C5H11N2O (115)	C4H11N2 (87)	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。

KOX00024p	175 C7H15N2O3	158 C7H12NO3	157 C7H13N2O2	140 C7H10NO2	139 C7H11N2O	133 C5H13N2O2	116 C5H10NO2	115 C5H11N2O	112 C6H10NO	97 C5H9N2	88 C4H10NO	87 C4H11N2	74 C2H4NO2	72 C4H10N	70 C4H8N
175 C7H15N2O3
158 C7H12NO3	H3N
157 C7H13N2O2	H2O
140 C7H10NO2	H5NO	H2O	H3N
139 C7H11N2O	H4O2		H2O
133 C5H13N2O2	C2H2O		C2
116 C5H10NO2	C2H5NO	C2H2O	C2H3N	C2		H3N
115 C5H11N2O	C2H4O2		C2H2O		C2	H2O
112 C6H10NO	CH5NO2	CH2O2	CH3NO	CO	CHN
97 C5H9N2	C2H6O3		C2H4O2		C2H2O	H4O2		H2O
88 C4H10NO	C3H5NO2	C3H2O2	C3H3NO	C3O	C3HN	CH3NO	CO	CHN	C2
87 C4H11N2	C3H4O3		C3H2O2		C3O	CH2O2		CO
74 C2H4NO2	C5H11NO	C5H8O	C5H9N	C5H6		C3H9N	C3H6
72 C4H10N	C3H5NO3	C3H2O3	C3H3NO2	C3O2	C3HNO	CH3NO2	CO2	CHNO	C2O		O	HN
70 C4H8N	C3H7NO3	C3H4O3	C3H5NO2	C3H2O2	C3H3NO	CH5NO2	CH2O2	CH3NO	C2H2O	CHN	H2O	H3N		H2

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

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

@@ Line 2: / Line 2: @@
 &&C7H15N2O3&&C7H12NO3&&C7H13N2O2&&C7H10NO2&&C7H11N2O&&C5H13N2O2&&C5H10NO2&&C5H11N2O&&C6H10NO&&C5H9N2&&C4H10NO&&C4H11N2&&C2H4NO2&&C4H10N&&C4H8N&&
-&&C7H15N2O3: C7H12NO3 C7H13N2O2 C5H13N2O2 C5H10NO2
+&&C7H15N2O3: C7H12NO3
-&&C7H12NO3: C7H10NO2 C5H10NO2 C6H10NO
+c
-&&C7H13N2O2: C7H10NO2 C7H11N2O C5H10NO2 C5H11N2O
+&&C7H15N2O3: C7H13N2O2
+-H2O
+&&C7H15N2O3: C7H10NO2** C7H11N2O**
+&&C7H15N2O3: C5H13N2O2
+b
+&&C7H15N2O3: C5H10NO2
+b,-NH3
+&&C7H15N2O3: C5H11N2O** C6H10NO** C5H9N2** C4H10NO** C4H11N2** C2H4NO2** C4H10N** C4H8N**
+&&C7H12NO3: C7H10NO2
+IT
+&&C7H12NO3: C5H10NO2
+IT
+&&C7H12NO3: C6H10NO
+IT
+&&C7H12NO3: C4H10NO** C2H4NO2** C4H10N** C4H8N**
+&&C7H13N2O2: C7H10NO2
+&&C7H13N2O2: C7H11N2O
+IT
+&&C7H13N2O2: C5H13N2O2* C5H10NO2
+&&C7H13N2O2: C5H11N2O
+IT
+&&C7H13N2O2: C6H10NO** C5H9N2** C4H10NO** C4H11N2** C2H4NO2** C4H10N** C4H8N**
+&&C7H10NO2: C5H10NO2*
 &&C7H10NO2: C6H10NO
-&&C7H11N2O: C5H9N2
+IT
-&&C5H13N2O2: C5H10NO2 C5H11N2O C4H11N2 C2H4NO2
+&&C7H10NO2: C4H10NO** C2H4NO2** C4H10N** C4H8N**
+&&C7H11N2O: C5H11N2O* C6H10NO** C5H9N2 C4H10NO** C4H11N2** C4H10N** C4H8N**
+&&C5H13N2O2: C5H10NO2 C5H11N2O C5H9N2** C4H10NO** C4H11N2 C2H4NO2 C4H10N** C4H8N**
 &&C5H10NO2: C4H10NO C2H4NO2 C4H10N C4H8N
-&&C5H11N2O: C5H9N2 C4H11N2
+&&C5H11N2O: C5H9N2
-&&C6H10NO: C4H10N C4H8N
+IT
-&&C4H10NO: C4H8N
+&&C5H11N2O: C4H10NO**
-&&C4H11N2: C4H8N
+&&C5H11N2O: C4H11N2
+IT
+&&C5H11N2O: C4H10N** C4H8N**
+&&C6H10NO: C4H10NO* C4H10N C4H8N
+&&C5H9N2: C4H8N**
+&&C4H10NO: C4H10N* C4H8N
+&&C4H11N2: C4H10N* C4H8N
+&&C4H10N: C4H8N*
 }}

IDs and Links
MassBank	N-Acetylornithine
CAS
Keio ID	A032+

MassBank:KOX00024p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of N-Acetylornithine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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