Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Spermidine

[edit] Top 10 Similar Molecules of Spermidine

Ranking	About scoring
KOX00655p Score:33.44 KOX00862p Score:23.52 KOX00654p Score:23.52 KOX00648p Score:11.85 KOX00343p Score:11.03 KOX00762p Score:10.99 KOX00464p Score:10.99 KOX00830p Score:9 KOX00661p Score:7.74 KOX00908p Score:7.7	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 C7H20N3: KOX00655p Pages Related to Peak C7H17N2: KOX00654p KOX00655p KOX00862p Pages Related to Peak C7H14N: KOX00654p KOX00655p KOX00830p KOX00862p Pages Related to Peak C5H10N: KOX00041p KOX00069p KOX00095p KOX00343p KOX00347p KOX00393p KOX00420p KOX00459p KOX00508p KOX00647p KOX00648p KOX00654p KOX00655p KOX00659p KOX00661p KOX00687p KOX00766p KOX00769p KOX00811p KOX00862p KOX00868p KOX00890p KOX00900p Pages Related to Peak C4H10N: KOX00024p KOX00029p KOX00079p KOX00100p KOX00233p KOX00464p KOX00478p KOX00623p KOX00641p KOX00648p KOX00653p KOX00654p KOX00655p KOX00669p KOX00676p KOX00762p KOX00773p KOX00818p KOX00820p KOX00848p KOX00854p KOX00856p KOX00862p KOX00908p Pages Related to Peak C3H8N: KOX00039p KOX00059p KOX00113p KOX00131p KOX00215p KOX00335p KOX00343p KOX00364p KOX00464p KOX00642p KOX00644p KOX00648p KOX00654p KOX00655p KOX00661p KOX00665p KOX00679p KOX00680p KOX00681p KOX00682p KOX00685p KOX00686p KOX00688p KOX00696p KOX00699p KOX00700p KOX00709p KOX00744p KOX00754p KOX00755p KOX00762p KOX00771p KOX00796p KOX00798p KOX00838p KOX00856p KOX00862p KOX00875p KOX00884p KOX00895p KOX00908p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00284p KOX00343p KOX00347p KOX00368p KOX00374p KOX00391p KOX00393p KOX00420p KOX00445p KOX00464p KOX00471p KOX00478p KOX00508p KOX00558p KOX00623p KOX00633p KOX00641p KOX00645p KOX00655p KOX00664p KOX00666p KOX00669p KOX00672p KOX00676p KOX00682p KOX00691p KOX00710p KOX00711p KOX00721p KOX00724p KOX00731p KOX00736p KOX00752p KOX00758p KOX00762p KOX00769p KOX00770p KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C7H20N3 (146)	C7H17N2 (129)	-NH3
C7H20N3 (146)	C4H10N (72)	e,-NH3
C7H20N3 (146)	C3H8N (58)	d,-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。

KOX00861p	146 C7H20N3	129 C7H17N2	112 C7H14N	84 C5H10N	72 C4H10N	58 C3H8N	55 C4H7
146 C7H20N3
129 C7H17N2	H3N
112 C7H14N	H6N2	H3N
84 C5H10N	C2H10N2	C2H7N	C2H4
72 C4H10N	C3H10N2	C3H7N	C3H4	C
58 C3H8N	C4H12N2	C4H9N	C4H6	C2H2	CH2
55 C4H7	C3H13N3	C3H10N2	C3H7N	CH3N	H3N

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

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

IDs and Links
MassBank	Spermidine
CAS	124-20-9
Keio ID	S003+

MassBank:KOX00861p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Spermidine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

Personal tools

Namespaces

Variants

Views

Actions

Search

Navigation

metabolites

Toolbox