Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Octylamine

[edit] Top 10 Similar Molecules of Octylamine

Ranking	About scoring
KOX00633p Score:7.92 KOX00892p Score:7.1 KOX00705p Score:7.1 KOX00616p Score:7.1 KOX00536p Score:7.1 KOX00471p Score:7.1 KOX00758p Score:6.63 KOX00875p Score:6.14 KOX00865p Score:6.14 KOX00830p Score:6.14	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 C6H5: KOX00006p KOX00034p KOX00041p KOX00043p KOX00053p KOX00064p KOX00073p KOX00118p KOX00120p KOX00122p KOX00126p KOX00189p KOX00195p KOX00221p KOX00231p KOX00236p KOX00328p KOX00359p KOX00368p KOX00371p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00456p KOX00471p KOX00485p KOX00491p KOX00501p KOX00510p KOX00514p KOX00536p KOX00558p KOX00580p KOX00582p KOX00604p KOX00616p KOX00628p KOX00637p KOX00638p KOX00643p KOX00645p KOX00646p KOX00649p KOX00670p KOX00671p KOX00673p KOX00674p KOX00676p KOX00694p KOX00697p KOX00703p KOX00705p KOX00713p KOX00719p KOX00720p KOX00722p KOX00725p KOX00731p KOX00738p KOX00747p KOX00762p KOX00763p KOX00766p KOX00767p KOX00769p KOX00770p KOX00784p KOX00789p KOX00795p KOX00797p KOX00804p KOX00805p KOX00807p KOX00808p KOX00809p KOX00811p KOX00814p KOX00817p KOX00824p KOX00828p KOX00830p KOX00832p KOX00834p KOX00840p KOX00859p KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p Pages Related to Peak C5H11: KOX00758p Pages Related to Peak C5H7: KOX00016p KOX00041p KOX00043p KOX00067p KOX00069p KOX00095p KOX00126p KOX00174p KOX00197p KOX00290p KOX00292p KOX00343p KOX00347p KOX00393p KOX00420p KOX00469p KOX00491p KOX00499p KOX00508p KOX00512p KOX00633p KOX00645p KOX00647p KOX00649p KOX00661p KOX00685p KOX00687p KOX00691p KOX00709p KOX00710p KOX00731p KOX00736p KOX00747p KOX00762p KOX00767p KOX00769p KOX00770p KOX00782p KOX00784p KOX00808p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p Pages Related to Peak C4H9: KOX00213p KOX00272p KOX00306p KOX00401p KOX00471p KOX00536p KOX00616p KOX00623p KOX00633p KOX00672p KOX00702p KOX00705p KOX00730p KOX00739p KOX00851p KOX00892p KOX00909p

[edit] Annotations

Precursor	Product	Comments
C8H20N (130)	C6H5 (77)	a
C8H20N (130)	C5H11 (71)	b
C8H20N (130)	C5H7 (67)	b
C8H20N (130)	C4H9 (57)	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。

KOX00819p	130 C8H20N	77 C6H5	71 C5H11	67 C5H7	57 C4H9
130 C8H20N
77 C6H5	C2H15N
71 C5H11	C3H9N
67 C5H7	C3H13N		H4
57 C4H9	C4H11N		CH2

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

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

@@ Line 2: / Line 2: @@
 &&C8H20N&&C6H5&&C5H11&&C5H7&&C4H9&&
-&&C8H20N: C6H5 C5H11 C5H7 C4H9
+&&C8H20N: C6H5
+a
+&&C8H20N: C5H11
+b
+&&C8H20N: C5H7
+b
+&&C8H20N: C4H9
+c
 &&C5H11: C5H7* C4H9*
 }}

IDs and Links
MassBank	Octylamine
CAS	111-86-4
Keio ID	O007+

MassBank:KOX00819p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Octylamine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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