Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Bis(3-aminopropyl)amine

[edit] Top 10 Similar Molecules of Bis(3-aminopropyl)amine

Ranking	About scoring
KOX00856p Score:13.03 KOX00838p Score:11.62 KOX00364p Score:11.62 KOX00699p Score:9.82 KOX00661p Score:9.82 KOX00873p Score:9.77 KOX00827p Score:9.77 KOX00024p Score:9.77 KOX00478p Score:9.08 KOX00875p Score:8.84	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 C6H12N: KOX00478p KOX00709p KOX00762p KOX00820p KOX00856p KOX00875p KOX00887p Pages Related to Peak C4H11N2: KOX00024p KOX00827p KOX00873p Pages Related to Peak C5H12N: KOX00043p KOX00090p KOX00122p KOX00233p KOX00295p KOX00364p KOX00391p KOX00396p KOX00398p KOX00469p KOX00499p KOX00539p KOX00616p KOX00644p KOX00685p KOX00688p KOX00741p KOX00771p KOX00773p KOX00822p KOX00838p KOX00856p Pages Related to Peak C3H11N2: KOX00661p KOX00699p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00648p KOX00652p KOX00655p KOX00676p KOX00698p KOX00736p KOX00743p KOX00752p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00873p KOX00874p KOX00890p KOX00912p Pages Related to Peak C3H8N: KOX00039p KOX00059p KOX00113p KOX00131p KOX00215p KOX00335p KOX00343p KOX00364p KOX00464p KOX00642p KOX00644p KOX00648p KOX00654p KOX00655p KOX00661p KOX00665p KOX00680p KOX00681p KOX00682p KOX00685p KOX00686p KOX00688p KOX00696p KOX00699p KOX00700p KOX00709p KOX00744p KOX00754p KOX00755p KOX00762p KOX00771p KOX00796p KOX00798p KOX00838p KOX00856p KOX00861p KOX00862p KOX00875p KOX00884p KOX00895p KOX00908p

[edit] Annotations

Precursor	Product	Comments
C6H18N3 (132)	C6H15N2 (115)	c
C6H18N3 (132)	C4H11N2 (87)	a
C6H18N3 (132)	C3H11N2 (75)	b
C6H18N3 (132)	C3H8N (58)	b,-NH3

[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。

KOX00679p	132 C6H18N3	115 C6H15N2	98 C6H12N	87 C4H11N2	86 C5H12N	75 C3H11N2	70 C4H8N	58 C3H8N
132 C6H18N3
115 C6H15N2	H3N
98 C6H12N	H6N2	H3N
87 C4H11N2	C2H7N	C2H4
86 C5H12N	CH6N2	CH3N	C
75 C3H11N2	C3H7N	C3H4		C
70 C4H8N	C2H10N2	C2H7N	C2H4	H3N	CH4
58 C3H8N	C3H10N2	C3H7N	C3H4	CH3N	C2H4	H3N	C

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

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@@ Line 2: / Line 2: @@
 &&C6H18N3&&C6H15N2&&C6H12N&&C4H11N2&&C5H12N&&C3H11N2&&C4H8N&&C3H8N&&
-&&C6H18N3: C6H15N2 C4H11N2 C3H11N2 C3H8N
+&&C6H18N3: C6H15N2
+c
+&&C6H18N3: C6H12N**
+&&C6H18N3: C4H11N2
+a
+&&C6H18N3: C5H12N**
+&&C6H18N3: C3H11N2
+b
+&&C6H18N3: C4H8N**
+&&C6H18N3: C3H8N
+b,-NH3
 &&C6H15N2: C6H12N C4H11N2 C5H12N C3H11N2 C4H8N C3H8N
-&&C6H12N: C4H8N C3H8N
+&&C6H12N: C5H12N* C4H8N C3H8N
-&&C4H11N2: C4H8N C3H8N
+&&C4H11N2: C3H11N2* C4H8N C3H8N
-&&C5H12N: C3H8N
+&&C5H12N: C4H8N* C3H8N
 &&C3H11N2: C3H8N
+&&C4H8N: C3H8N*
 }}

IDs and Links
MassBank	Bis(3-aminopropyl)amine
CAS	56-18-8
Keio ID	B040+

MassBank:KOX00679p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Bis(3-aminopropyl)amine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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