Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

D-Gln

[edit] Top 10 Similar Molecules of D-Gln

Ranking	About scoring
KOX00268p Score:28.62 KOX00529p Score:15.75 KOX00476p Score:15.75 KOX00281p Score:15.75 KOX00270p Score:15.75 KOX00259p Score:15.75 KOX00254p Score:15.75 KOX00225p Score:15.75 KOX00022p Score:15.75 KOX00905p Score:10.82	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 C5H11N2O3: KOX00268p Pages Related to Peak C5H8NO3: KOX00022p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00476p KOX00529p KOX00734p Pages Related to Peak C5H7O3: KOX00004p KOX00268p Pages Related to Peak C4H8NO2: KOX00022p KOX00051p KOX00167p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00406p KOX00454p KOX00476p KOX00529p KOX00547p KOX00586p KOX00593p KOX00636p KOX00668p KOX00682p KOX00702p KOX00705p KOX00721p KOX00729p KOX00743p KOX00778p KOX00905p Pages Related to Peak C4H6NO: KOX00022p KOX00067p KOX00102p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00290p KOX00292p KOX00306p KOX00401p KOX00454p KOX00476p KOX00529p KOX00547p KOX00586p KOX00588p KOX00590p KOX00593p KOX00702p KOX00705p KOX00721p KOX00729p KOX00736p KOX00739p KOX00740p KOX00778p KOX00794p KOX00795p KOX00868p KOX00905p Pages Related to Peak C3H6N: KOX00022p KOX00041p KOX00051p KOX00056p KOX00062p KOX00064p KOX00069p 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 KOX00743p KOX00749p KOX00761p KOX00762p KOX00769p KOX00778p KOX00779p KOX00793p KOX00802p KOX00803p KOX00808p KOX00822p KOX00827p KOX00838p KOX00856p KOX00874p KOX00875p KOX00876p KOX00887p KOX00888p KOX00890p KOX00900p KOX00905p KOX00911p

[edit] Annotations

Precursor	Product	Comments
C5H11N2O3 (147)	C5H8NO3 (130)	-NH3
C5H11N2O3 (147)	C4H8NO2 (102)	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。

KOX00733p	147 C5H11N2O3	130 C5H8NO3	115 C5H7O3	102 C4H8NO2	84 C4H6NO	56 C3H6N
147 C5H11N2O3
130 C5H8NO3	H3N
115 C5H7O3	H4N2	HN
102 C4H8NO2	CH3NO	CO
84 C4H6NO	CH5NO2	CH2O2		H2O
56 C3H6N	C2H5NO3	C2H2O3		CH2O2	CO

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

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@@ Line 2: / Line 2: @@
 &&C5H11N2O3&&C5H8NO3&&C5H7O3&&C4H8NO2&&C4H6NO&&C3H6N&&
-&&C5H11N2O3: C5H8NO3 C5H7O3** C4H8NO2 C4H6NO** C3H6N**
+&&C5H11N2O3: C5H8NO3
+-NH3
+&&C5H11N2O3: C5H7O3**
+&&C5H11N2O3: C4H8NO2
+b
+&&C5H11N2O3: C4H6NO** C3H6N**
 &&C5H8NO3: C5H7O3* C4H8NO2 C4H6NO C3H6N**
 &&C4H8NO2: C4H6NO C3H6N
 &&C4H6NO: C3H6N
 }}

IDs and Links
MassBank	D-Gln
CAS	5959-95-5
Keio ID	G006+

MassBank:KOX00733p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of D-Gln

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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