Latest revision as of 13:43, 4 November 2009

分子リスト
KOX PR PBX COX

Homoserine

[edit] Top 10 Similar Molecules of Homoserine

Ranking	About scoring
KOX00778p Score:17.67 KOX00593p Score:17.67 KOX00586p Score:17.67 KOX00905p Score:12.74 KOX00406p Score:11.95 KOX00268p Score:11.95 KOX00888p Score:7.91 KOX00856p Score:7.91 KOX00662p Score:7.91 KOX00640p Score:7.91	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 KOX00778p KOX00905p 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 KOX00778p KOX00905p Pages Related to Peak C3H8NO: KOX00122p KOX00268p KOX00406p KOX00586p KOX00593p KOX00640p KOX00662p KOX00778p KOX00856p KOX00888p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00648p KOX00652p KOX00655p KOX00676p KOX00679p KOX00698p KOX00736p KOX00752p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00873p KOX00874p KOX00890p KOX00912p 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 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
C4H10NO3 (120)	C4H8NO2 (102)	-H2O
C4H10NO3 (120)	C3H8NO (74)	a

[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。

KOX00743p	120 C4H10NO3	102 C4H8NO2	74 C3H8NO	70 C4H8N	56 C3H6N
120 C4H10NO3
102 C4H8NO2	H2O
74 C3H8NO	CH2O2	CO
70 C4H8N	H2O3	O2
56 C3H6N	CH4O3	CH2O2	H2O	CH2

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@@ Line 2: / Line 2: @@
 &&C4H10NO3&&C4H8NO2&&C3H8NO&&C4H8N&&C3H6N&&
-&&C4H10NO3: C4H8NO2 C3H8NO C3H6N**
+&&C4H10NO3: C4H8NO2
+-H2O
+&&C4H10NO3: C3H8NO
+a
+&&C4H10NO3: C3H6N**
 &&C4H8NO2: C3H8NO C3H6N
 &&C3H8NO: C3H6N
 &&C4H8N: C3H6N*
 }}

IDs and Links
MassBank	Homoserine
CAS	672-15-1
Keio ID	H003+

MassBank:KOX00743p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Homoserine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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