Revision as of 17:10, 3 July 2009

All Molecules
KOX PR PBX COX

b-Ala-Lys

Top 10 Similar Molecules of b-Ala-Lys

Ranking	About scoring
KOX00393p Score:26.06 KOX00769p Score:16.85 KOX00508p Score:15.87 KOX00347p Score:15.87 KOX00095p Score:15.87 KOX00041p Score:15.87 KOX00343p Score:14.58 KOX00661p Score:14.26 KOX00687p Score:10.61 KOX00420p Score:10.61	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。

Links

Page list for each fragment
Pages Related to Peak C8H15N2O2: KOX00295p Pages Related to Peak C6H15N2O2: KOX00393p KOX00688p Pages Related to Peak C6H12NO2: KOX00041p KOX00095p KOX00205p KOX00347p KOX00393p KOX00508p KOX00715p Pages Related to Peak C6H13N2O: KOX00225p KOX00769p Pages Related to Peak C5H13N2: KOX00661p Pages Related to Peak C5H10N: KOX00041p KOX00095p KOX00343p KOX00347p KOX00393p KOX00420p KOX00459p KOX00508p KOX00647p KOX00648p KOX00654p KOX00655p KOX00659p KOX00661p KOX00687p KOX00766p KOX00769p KOX00811p KOX00861p KOX00862p KOX00868p KOX00890p KOX00900p Pages Related to Peak C2H4NO2: KOX00012p KOX00014p KOX00024p KOX00029p KOX00051p 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 C5H7: KOX00016p KOX00041p KOX00043p KOX00067p KOX00095p KOX00126p KOX00174p KOX00197p KOX00290p KOX00292p KOX00343p KOX00347p KOX00393p KOX00420p KOX00469p KOX00491p KOX00499p KOX00508p KOX00512p KOX00633p KOX00645p KOX00647p KOX00649p KOX00661p KOX00685p KOX00687p KOX00691p KOX00709p KOX00710p KOX00731p KOX00736p KOX00747p KOX00762p KOX00767p KOX00769p KOX00770p KOX00782p KOX00784p KOX00808p KOX00819p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p Pages Related to Peak C3H6N: KOX00022p KOX00041p KOX00051p KOX00056p KOX00062p KOX00064p KOX00079p 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

Annotations

Precursor	Product	Comments
C9H20N3O3 (218)	C9H17N2O3 (201)	-NH3
C9H20N3O3 (218)	C9H18N3O2 (200)	-H2O
C9H20N3O3 (218)	C6H15N2O2 (147)	c
C9H20N3O3 (218)	C6H12NO2 (130)	c,-NH3
C6H13N2O (129)	C5H13N2 (101)	IT
C6H13N2O (129)	C5H10N (84)	IT

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。

KOX00069p	218 C9H20N3O3	201 C9H17N2O3	200 C9H18N3O2	183 C9H15N2O2	171 C8H15N2O2	165 C9H13N2O	147 C6H15N2O2	130 C6H12NO2	129 C6H13N2O	101 C5H13N2	84 C5H10N	74 C2H4NO2	67 C5H7	56 C3H6N
218 C9H20N3O3
201 C9H17N2O3	H3N
200 C9H18N3O2	H2O
183 C9H15N2O2	H5NO	H2O	H3N
171 C8H15N2O2	CH5NO	CH2O	CH3N	C
165 C9H13N2O	H7NO2	H4O2	H5NO	H2O
147 C6H15N2O2	C3H5NO	C3H2O	C3H3N	C3	C2
130 C6H12NO2	C3H8N2O	C3H5NO	C3H6N2	C3H3N	C2H3N		H3N
129 C6H13N2O	C3H7NO2	C3H4O2	C3H5NO	C3H2O	C2H2O	C3	H2O
101 C5H13N2	C4H7NO3	C4H4O3	C4H5NO2	C4H2O2	C3H2O2	C4O	CH2O2		CO
84 C5H10N	C4H10N2O3	C4H7NO3	C4H8N2O2	C4H5NO2	C3H5NO2	C4H3NO	CH5NO2	CH2O2	CH3NO	H3N
74 C2H4NO2	C7H16N2O	C7H13NO	C7H14N2	C7H11N	C6H11N		C4H11N	C4H8
67 C5H7	C4H13N3O3	C4H10N2O3	C4H11N3O2	C4H8N2O2	C3H8N2O2	C4H6N2O	CH8N2O2	CH5NO2	CH6N2O	H6N2	H3N
56 C3H6N	C6H14N2O3	C6H11NO3	C6H12N2O2	C6H9NO2	C5H9NO2	C6H7NO	C3H9NO2	C3H6O2	C3H7NO	C2H7N	C2H4

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

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

@@ Line 2: / Line 2: @@
 &&C9H20N3O3&&C9H17N2O3&&C9H18N3O2&&C9H15N2O2&&C8H15N2O2&&C9H13N2O&&C6H15N2O2&&C6H12NO2&&C6H13N2O&&C5H13N2&&C5H10N&&C2H4NO2&&C5H7&&C3H6N&&
-&&C9H20N3O3: C9H17N2O3 C9H18N3O2 C9H15N2O2** C8H15N2O2** C9H13N2O** C6H15N2O2 C6H12NO2 C6H13N2O** C5H13N2** C5H10N** C2H4NO2** C5H7**
+&&C9H20N3O3: C9H17N2O3
+-NH3
+&&C9H20N3O3: C9H18N3O2
+-H2O
+&&C9H20N3O3: C9H15N2O2** C8H15N2O2** C9H13N2O**
+&&C9H20N3O3: C6H15N2O2
+c
+&&C9H20N3O3: C6H12NO2
+c,-NH3
+&&C9H20N3O3: C6H13N2O** C5H13N2** C5H10N** C2H4NO2** C5H7**
 &&C9H17N2O3: C9H15N2O2 C8H15N2O2** C9H13N2O** C6H15N2O2 C6H12NO2 C6H13N2O** C5H13N2** C5H10N** C2H4NO2** C5H7**
 &&C9H18N3O2: C9H15N2O2 C8H15N2O2 C9H13N2O** C6H15N2O2 C6H12NO2 C6H13N2O** C5H13N2** C5H10N** C2H4NO2** C5H7**
@@ Line 10: / Line 19: @@
 &&C6H15N2O2: C6H12NO2 C6H13N2O C5H13N2 C5H10N** C2H4NO2 C5H7**
 &&C6H12NO2: C5H10N C2H4NO2 C5H7**
-&&C6H13N2O: C5H13N2 C5H10N C5H7**
+&&C6H13N2O: C5H13N2
+IT
+&&C6H13N2O: C5H10N
+IT
+&&C6H13N2O: C5H7**
 &&C5H13N2: C5H10N C5H7** C3H6N
 &&C5H10N: C5H7 C3H6N
 }}

IDs and Links
MassBank	b-Ala-Lys
CAS
Keio ID	A127+

MassBank:KOX00069p

Revision as of 17:10, 3 July 2009

Contents

Top 10 Similar Molecules of b-Ala-Lys

Links

Annotations

Precursor-Product Relationship

Personal tools

Namespaces

Variants

Views

Actions

Search

Navigation

metabolites

Toolbox