Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Trientine

[edit] Top 10 Similar Molecules of Trientine

Ranking	About scoring
KOX00890p Score:10.06 KOX00648p Score:10.06 KOX00827p Score:9.77 KOX00679p Score:9.77 KOX00024p Score:9.77 KOX00903p Score:5.13 KOX00878p Score:5.13 KOX00783p Score:5.13 KOX00726p Score:5.13 KOX00584p Score:5.13	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 C6H13N2: KOX00648p KOX00890p Pages Related to Peak C4H11N2: KOX00024p KOX00679p KOX00827p 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 KOX00743p KOX00752p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00874p KOX00890p KOX00912p Pages Related to Peak C2H6N: KOX00008p KOX00010p KOX00560p KOX00584p KOX00726p KOX00783p KOX00878p KOX00903p

[edit] Annotations

Precursor	Product	Comments
C6H19N4 (147)	C6H16N3 (130)	b
C6H19N4 (147)	C4H11N2 (87)	a
C6H19N4 (147)	C2H6N (44)	x

[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。

KOX00873p	147 C6H19N4	130 C6H16N3	113 C6H13N2	87 C4H11N2	70 C4H8N	44 C2H6N
147 C6H19N4
130 C6H16N3	H3N
113 C6H13N2	H6N2	H3N
87 C4H11N2	C2H8N2	C2H5N	C2H2
70 C4H8N	C2H11N3	C2H8N2	C2H5N	H3N
44 C2H6N	C4H13N3	C4H10N2	C4H7N	C2H5N	C2H2

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

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

@@ Line 2: / Line 2: @@
 &&C6H19N4&&C6H16N3&&C6H13N2&&C4H11N2&&C4H8N&&C2H6N&&
-&&C6H19N4: C6H16N3 C6H13N2** C4H11N2 C4H8N** C2H6N
+&&C6H19N4: C6H16N3
+b
+&&C6H19N4: C6H13N2**
+&&C6H19N4: C4H11N2
+a
+&&C6H19N4: C4H8N**
+&&C6H19N4: C2H6N
+x
 &&C6H16N3: C6H13N2 C4H11N2 C4H8N C2H6N
 &&C6H13N2: C4H11N2* C4H8N C2H6N

IDs and Links
MassBank	Trientine
CAS	112-24-3
Keio ID	T021+

MassBank:KOX00873p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Trientine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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