Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

5-Aminopentanoate

[edit] Top 10 Similar Molecules of 5-Aminopentanoate

Ranking	About scoring
KOX00100p Score:24.42 KOX00343p Score:21.84 KOX00623p Score:21.17 KOX00464p Score:18.18 KOX00655p Score:12.93 KOX00818p Score:12.64 KOX00648p Score:11.59 KOX00900p Score:10.77 KOX00762p Score:10.38 KOX00903p Score:10.27	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 C5H12NO2: KOX00100p KOX00343p KOX00464p KOX00623p KOX00681p Pages Related to Peak C5H9O2: KOX00100p KOX00464p KOX00474p KOX00623p KOX00646p KOX00818p KOX00903p Pages Related to Peak C5H10NO: KOX00343p KOX00654p KOX00655p KOX00718p KOX00776p Pages Related to Peak C5H7O: KOX00100p KOX00620p Pages Related to Peak C5H8N: KOX00086p KOX00343p KOX00518p KOX00648p KOX00649p KOX00663p KOX00687p KOX00747p KOX00776p KOX00811p KOX00830p KOX00865p KOX00875p KOX00887p KOX00900p KOX00911p Pages Related to Peak C4H10N: KOX00024p KOX00029p 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 C3H7O: KOX00039p KOX00122p KOX00251p KOX00254p KOX00288p KOX00456p KOX00665p KOX00755p KOX00903p Pages Related to Peak C3H6N: KOX00022p KOX00041p KOX00051p KOX00056p KOX00062p KOX00064p KOX00069p KOX00095p KOX00136p KOX00167p KOX00225p KOX00229p KOX00236p KOX00254p KOX00259p KOX00268p KOX00270p KOX00276p KOX00281p KOX00308p KOX00313p KOX00343p KOX00347p KOX00364p KOX00393p KOX00406p KOX00420p KOX00454p KOX00476p KOX00508p KOX00514p KOX00529p KOX00586p KOX00590p KOX00593p KOX00623p KOX00636p KOX00640p KOX00648p KOX00662p KOX00680p KOX00681p KOX00684p KOX00687p KOX00688p KOX00698p KOX00700p KOX00702p KOX00713p KOX00723p KOX00729p KOX00733p KOX00743p KOX00749p KOX00761p KOX00762p KOX00769p KOX00778p KOX00779p KOX00793p KOX00802p KOX00803p KOX00808p KOX00822p KOX00827p KOX00838p KOX00856p KOX00874p KOX00875p KOX00876p KOX00887p KOX00888p KOX00890p KOX00900p KOX00905p KOX00911p Pages Related to Peak C4H7: KOX00043p 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 KOX00752p KOX00758p KOX00762p KOX00769p KOX00770p KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p Pages Related to Peak C4H5: KOX00006p KOX00032p KOX00124p KOX00138p KOX00241p KOX00245p KOX00292p KOX00302p KOX00422p KOX00462p KOX00474p KOX00487p KOX00491p KOX00672p KOX00691p KOX00719p KOX00720p KOX00736p KOX00752p KOX00757p KOX00760p KOX00775p KOX00784p KOX00788p KOX00810p KOX00811p KOX00817p KOX00825p KOX00853p KOX00863p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C5H12NO2 (118)	C5H9O2 (101)	b
C5H12NO2 (118)	C5H10NO (100)	c
C5H12NO2 (118)	C4H10N (72)	e
C5H12NO2 (118)	C3H6N (56)	d
C5H9O2 (101)	C5H7O (83)	IT
C5H9O2 (101)	C4H7 (55)	IT
C5H7O (83)	C4H7 (55)	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。

KOX00079p	118 C5H12NO2	101 C5H9O2	100 C5H10NO	83 C5H7O	82 C5H8N	72 C4H10N	59 C3H7O	56 C3H6N	55 C4H7	53 C4H5
118 C5H12NO2
101 C5H9O2	H3N
100 C5H10NO	H2O
83 C5H7O	H5NO	H2O	H3N
82 C5H8N	H4O2		H2O
72 C4H10N	CH2O2		CO
59 C3H7O	C2H5NO	C2H2O	C2H3N	C2
56 C3H6N	C2H6O2		C2H4O		C2H2	CH4
55 C4H7	CH5NO2	CH2O2	CH3NO	CO	CHN	H3N
53 C4H5	CH7NO2	CH4O2	CH5NO	CH2O	CH3N	H5N			H2

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

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

@@ Line 2: / Line 2: @@
 &&C5H12NO2&&C5H9O2&&C5H10NO&&C5H7O&&C5H8N&&C4H10N&&C3H7O&&C3H6N&&C4H7&&C4H5&&
-&&C5H12NO2: C5H9O2 C5H10NO C4H10N C3H6N
+&&C5H12NO2: C5H9O2
-&&C5H9O2: C5H7O C4H7 C4H5
+b
-&&C5H10NO: C5H7O C5H8N C4H10N C3H6N
+&&C5H12NO2: C5H10NO
-&&C5H7O: C4H7 C4H5
+c
-&&C5H8N: C3H6N C4H5
+&&C5H12NO2: C5H7O** C5H8N**
-&&C4H10N: C4H7
+&&C5H12NO2: C4H10N
+e
+&&C5H12NO2: C3H7O**
+&&C5H12NO2: C3H6N
+d
+&&C5H12NO2: C4H7** C4H5**
+&&C5H9O2: C5H7O
+IT
+&&C5H9O2: C3H7O**
+&&C5H9O2: C4H7
+IT
+&&C5H9O2: C4H5
+&&C5H10NO: C5H7O C5H8N C4H10N C3H7O** C3H6N C4H7** C4H5**
+&&C5H7O: C3H7O*
+&&C5H7O: C4H7
+IT
+&&C5H7O: C4H5
+&&C5H8N: C3H6N C4H7** C4H5
+&&C4H10N: C3H6N* C4H7 C4H5*
+&&C4H7: C4H5*
 }}

IDs and Links
MassBank	5-Aminopentanoate
CAS	660-88-8
Keio ID	A135+

MassBank:KOX00079p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of 5-Aminopentanoate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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