Latest revision as of 13:43, 4 November 2009

分子リスト
KOX PR PBX COX

Asp

[edit] Top 10 Similar Molecules of Asp

Ranking	About scoring
KOX00029p Score:26.01 KOX00251p Score:19.38 KOX00012p Score:19.38 KOX00499p Score:14.44 KOX00646p Score:13.66 KOX00140p Score:13.66 KOX00833p Score:9.69 KOX00701p Score:9.69 KOX00554p Score:9.69 KOX00688p Score:4.93	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 C4H8NO4: KOX00029p Pages Related to Peak C4H6NO3: KOX00012p KOX00029p KOX00251p KOX00499p Pages Related to Peak C3H6NO2: KOX00012p KOX00029p KOX00140p KOX00251p KOX00554p KOX00628p KOX00646p KOX00688p KOX00701p KOX00833p Pages Related to Peak C2H4NO2: KOX00012p KOX00024p KOX00029p KOX00051p KOX00069p 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 C3H4NO: KOX00012p KOX00029p KOX00140p KOX00251p KOX00499p KOX00554p KOX00646p KOX00701p KOX00724p KOX00833p KOX00893p KOX00903p

[edit] Annotations

Precursor	Product	Comments
C4H8NO4 (134)	C4H6NO3 (116)	-H2O
C4H8NO4 (134)	C3H6NO2 (88)	c[d]
C4H8NO4 (134)	C2H4NO2 (74)	b
C4H6NO3 (116)	C3H6NO2 (88)	IT
C4H6NO3 (116)	C2H4NO2 (74)	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。

KOX00014p	134 C4H8NO4	116 C4H6NO3	88 C3H6NO2	74 C2H4NO2	70 C3H4NO
134 C4H8NO4
116 C4H6NO3	H2O
88 C3H6NO2	CH2O2	CO
74 C2H4NO2	C2H4O2	C2H2O	CH2
70 C3H4NO	CH4O3	CH2O2	H2O

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

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

@@ Line 2: / Line 2: @@
 &&C4H8NO4&&C4H6NO3&&C3H6NO2&&C2H4NO2&&C3H4NO&&
-&&C4H8NO4: C4H6NO3 C3H6NO2 C2H4NO2
+&&C4H8NO4: C4H6NO3
-&&C4H6NO3: C3H6NO2 C2H4NO2 C3H4NO
+-H2O
-&&C3H6NO2: C3H4NO
+&&C4H8NO4: C3H6NO2
+c[d]
+&&C4H8NO4: C2H4NO2
+b
+&&C4H8NO4: C3H4NO**
+&&C4H6NO3: C3H6NO2
+IT
+&&C4H6NO3: C2H4NO2
+IT
+&&C4H6NO3: C3H4NO
+&&C3H6NO2: C2H4NO2* C3H4NO
 }}

IDs and Links
MassBank	Asp
CAS	56-84-8
Keio ID	A017+

MassBank:KOX00014p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Asp

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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