Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Zalcitabine

[edit] Top 10 Similar Molecules of Zalcitabine

Ranking	About scoring
KOX00197p Score:20.08 KOX00174p Score:20.08 KOX00145p Score:20.08 KOX00876p Score:8.42 KOX00780p Score:8.42 KOX00721p Score:8.42 KOX00429p Score:8.42 KOX00427p Score:8.42 KOX00315p Score:8.42 KOX00111p Score:8.42	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 C9H14N3O3: KOX00086p Pages Related to Peak C4H6N3O: KOX00145p KOX00174p KOX00197p Pages Related to Peak C4H3N2O: KOX00145p KOX00174p KOX00197p KOX00893p Pages Related to Peak C4H4N3: KOX00004p KOX00054p KOX00111p KOX00145p KOX00174p KOX00197p KOX00245p KOX00315p KOX00420p KOX00427p KOX00429p KOX00435p KOX00443p KOX00451p KOX00526p KOX00633p KOX00707p KOX00708p KOX00711p KOX00721p KOX00780p KOX00787p KOX00799p KOX00829p KOX00841p KOX00876p Pages Related to Peak C3H5N2: KOX00077p KOX00111p KOX00145p KOX00174p KOX00197p KOX00315p KOX00427p KOX00429p KOX00596p KOX00684p KOX00721p KOX00746p KOX00759p KOX00780p KOX00843p KOX00845p KOX00876p KOX00891p

[edit] Annotations

Precursor	Product	Comments
C9H14N3O3 (212)	C4H6N3O (112)	a
C9H14N3O3 (212)	C3H5N2 (69)	c

[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。

KOX00631p	212 C9H14N3O3	112 C4H6N3O	95 C4H3N2O	94 C4H4N3	69 C3H5N2
212 C9H14N3O3
112 C4H6N3O	C5H8O2
95 C4H3N2O	C5H11NO2	H3N
94 C4H4N3	C5H10O3	H2O
69 C3H5N2	C6H9NO3	CHNO

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

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

@@ Line 2: / Line 2: @@
 &&C9H14N3O3&&C4H6N3O&&C4H3N2O&&C4H4N3&&C3H5N2&&
-&&C9H14N3O3: C4H6N3O C4H3N2O** C4H4N3** C3H5N2
+&&C9H14N3O3: C4H6N3O
+a
+&&C9H14N3O3: C4H3N2O** C4H4N3**
+&&C9H14N3O3: C3H5N2
+c
 &&C4H6N3O: C4H3N2O C4H4N3 C3H5N2
 }}

IDs and Links
MassBank	Zalcitabine
CAS	7481-89-2
Keio ID	Z001+

MassBank:KOX00631p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Zalcitabine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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