Latest revision as of 13:43, 4 November 2009

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KOX PR PBX COX

4-Amino-3-hydroxybutyrate

[edit] Top 10 Similar Molecules of 4-Amino-3-hydroxybutyrate

Ranking	About scoring
KOX00778p Score:16.54 KOX00593p Score:16.54 KOX00586p Score:16.54 KOX00712p Score:15.04 KOX00048p Score:15.04 KOX00729p Score:14.89 KOX00702p Score:14.89 KOX00281p Score:14.89 KOX00270p Score:14.89 KOX00259p Score:14.89	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 C4H10NO3: KOX00586p KOX00593p KOX00743p KOX00778p Pages Related to Peak C4H7O3: KOX00004p KOX00048p KOX00686p KOX00712p 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 KOX00733p KOX00743p KOX00778p Pages Related to Peak C4H5O2: KOX00004p KOX00022p KOX00048p KOX00225p KOX00256p KOX00259p KOX00270p KOX00272p KOX00281p KOX00288p KOX00292p KOX00440p KOX00447p KOX00518p KOX00573p KOX00659p KOX00686p KOX00702p KOX00712p KOX00729p KOX00739p KOX00740p KOX00774p KOX00794p KOX00795p 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 KOX00733p KOX00736p KOX00739p KOX00740p KOX00778p KOX00794p KOX00795p KOX00868p Pages Related to Peak C2H5O2: KOX00018p KOX00048p KOX00447p KOX00518p KOX00573p KOX00712p KOX00774p Pages Related to Peak C2H6NO: KOX00012p KOX00083p KOX00102p KOX00292p KOX00547p KOX00554p KOX00641p KOX00698p KOX00710p KOX00739p KOX00740p KOX00750p KOX00782p KOX00794p KOX00884p 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 KOX00733p KOX00743p KOX00749p KOX00761p KOX00762p KOX00769p KOX00778p KOX00779p KOX00793p KOX00802p KOX00803p KOX00808p KOX00822p KOX00827p KOX00838p KOX00856p KOX00874p KOX00875p KOX00876p KOX00887p KOX00888p KOX00890p KOX00900p KOX00911p

[edit] Annotations

Precursor	Product	Comments
C4H10NO3 (120)	C4H7O3 (103)	c
C4H10NO3 (120)	C4H8NO2 (102)	-H2O
C4H10NO3 (120)	C2H6NO (60)	e
C4H8NO2 (102)	C4H6NO (84)	IT
C4H8NO2 (102)	C2H6NO (60)	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。

KOX00905p	120 C4H10NO3	103 C4H7O3	102 C4H8NO2	85 C4H5O2	84 C4H6NO	61 C2H5O2	60 C2H6NO	56 C3H6N
120 C4H10NO3
103 C4H7O3	H3N
102 C4H8NO2	H2O
85 C4H5O2	H5NO	H2O	H3N
84 C4H6NO	H4O2		H2O
61 C2H5O2	C2H5NO	C2H2O	C2H3N	C2
60 C2H6NO	C2H4O2		C2H2O		C2
56 C3H6N	CH4O3		CH2O2		CO

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

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@@ Line 2: / Line 2: @@
 &&C4H10NO3&&C4H7O3&&C4H8NO2&&C4H5O2&&C4H6NO&&C2H5O2&&C2H6NO&&C3H6N&&
-&&C4H10NO3: C4H7O3 C4H8NO2 C2H5O2 C2H6NO
+&&C4H10NO3: C4H7O3
-&&C4H7O3: C4H5O2 C2H5O2
+c
-&&C4H8NO2: C4H5O2 C4H6NO C2H5O2 C2H6NO C3H6N
+&&C4H10NO3: C4H8NO2
-&&C4H6NO: C3H6N
+-H2O
+&&C4H10NO3: C4H5O2** C4H6NO**
+&&C4H10NO3: C2H6NO
+e
+&&C4H10NO3: C3H6N**
+&&C4H7O3: C4H5O2
+&&C4H8NO2: C4H5O2
+&&C4H8NO2: C4H6NO
+IT
+&&C4H8NO2: C2H6NO
+IT
+&&C4H8NO2: C3H6N
+&&C4H6NO: C2H6NO* C3H6N
 }}

IDs and Links
MassBank	4-Amino-3-hydroxybutyrate
CAS
Keio ID	A204+

MassBank:KOX00905p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of 4-Amino-3-hydroxybutyrate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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