Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

N-Methylglutamate

[edit] Top 10 Similar Molecules of N-Methylglutamate

Ranking	About scoring
KOX00064p Score:23.32 KOX00794p Score:18.71 KOX00740p Score:18.71 KOX00739p Score:18.71 KOX00292p Score:18.71 KOX00795p Score:13.33 KOX00676p Score:13.17 KOX00736p Score:13.09 KOX00547p Score:9.26 KOX00102p Score:9.26	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 C6H12NO4: KOX00064p KOX00292p KOX00668p KOX00739p KOX00740p KOX00794p Pages Related to Peak C6H10NO3: KOX00022p KOX00051p KOX00064p KOX00067p KOX00102p KOX00292p KOX00547p KOX00736p KOX00739p KOX00740p KOX00794p KOX00795p Pages Related to Peak C5H10NO2: KOX00024p KOX00029p KOX00064p KOX00138p KOX00474p KOX00478p KOX00487p KOX00635p KOX00676p KOX00818p KOX00848p Pages Related to Peak C5H8NO: KOX00051p KOX00064p KOX00067p KOX00102p KOX00124p KOX00292p KOX00459p KOX00547p KOX00676p KOX00687p KOX00736p KOX00739p KOX00740p KOX00794p KOX00795p KOX00868p Pages Related to Peak C4H5O2: KOX00004p KOX00022p KOX00048p KOX00225p KOX00256p KOX00259p KOX00270p KOX00272p KOX00281p KOX00288p KOX00292p KOX00447p KOX00518p KOX00573p KOX00659p KOX00686p KOX00702p KOX00712p KOX00729p KOX00739p KOX00740p KOX00774p KOX00794p KOX00795p KOX00905p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p 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
C6H12NO4 (162)	C6H10NO3 (144)	-H2O
C6H12NO4 (162)	C5H10NO2 (116)	a[b]

[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。

KOX00440p	162 C6H12NO4	144 C6H10NO3	116 C5H10NO2	98 C5H8NO	85 C4H5O2	70 C4H8N
162 C6H12NO4
144 C6H10NO3	H2O
116 C5H10NO2	CH2O2	CO
98 C5H8NO	CH4O3	CH2O2	H2O
85 C4H5O2	C2H7NO2	C2H5NO	CH5N
70 C4H8N	C2H4O4	C2H2O3	CH2O2	CO

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@@ Line 2: / Line 2: @@
 &&C6H12NO4&&C6H10NO3&&C5H10NO2&&C5H8NO&&C4H5O2&&C4H8N&&
-&&C6H12NO4: C6H10NO3 C5H10NO2 C5H8NO** C4H5O2** C4H8N**
+&&C6H12NO4: C6H10NO3
+-H2O
+&&C6H12NO4: C5H10NO2
+a[b]
+&&C6H12NO4: C5H8NO** C4H5O2** C4H8N**
 &&C6H10NO3: C5H10NO2 C5H8NO C4H5O2** C4H8N**
 &&C5H10NO2: C5H8NO C4H5O2 C4H8N
 &&C5H8NO: C4H8N
 }}

IDs and Links
MassBank	N-Methylglutamate
CAS
Keio ID	M067+

MassBank:KOX00440p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of N-Methylglutamate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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