Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Trimethylamine N-oxide

[edit] Top 10 Similar Molecules of Trimethylamine N-oxide

Ranking	About scoring
KOX00709p Score:15.54 KOX00755p Score:9.82 KOX00862p Score:9.53 KOX00696p Score:9.31 KOX00681p Score:9.31 KOX00680p Score:9.31 KOX00759p Score:5.94 KOX00560p Score:5.94 KOX00905p Score:4.55 KOX00794p Score:4.55	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 C3H10NO: KOX00709p KOX00755p Pages Related to Peak C2H6NO: KOX00012p KOX00083p KOX00102p KOX00292p KOX00547p KOX00554p KOX00641p KOX00698p KOX00710p KOX00739p KOX00740p KOX00750p KOX00782p KOX00794p KOX00905p Pages Related to Peak C3H9N: KOX00680p KOX00681p KOX00696p KOX00709p 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 KOX00861p KOX00862p KOX00875p KOX00895p KOX00908p Pages Related to Peak C2H4N: KOX00560p KOX00759p KOX00862p

[edit] Annotations

Precursor	Product	Comments
C3H10NO (76)	C2H6NO (60)	a
C3H10NO (76)	C3H9N (59)	b,rad.
C3H10NO (76)	C3H8N (58)	b

[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。

KOX00884p	76 C3H10NO	60 C2H6NO	59 C3H9N	58 C3H8N	43 C2H5N	42 C2H4N
76 C3H10NO
60 C2H6NO	CH4
59 C3H9N	HO
58 C3H8N	H2O		H
43 C2H5N	CH5O	HO	CH4	CH3
42 C2H4N	CH6O	H2O	CH5	CH4	H

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@@ Line 2: / Line 2: @@
 &&C3H10NO&&C2H6NO&&C3H9N&&C3H8N&&C2H5N&&C2H4N&&
-&&C3H10NO: C2H6NO C3H9N C3H8N C2H5N** C2H4N**
+&&C3H10NO: C2H6NO
+a
+&&C3H10NO: C3H9N
+b,rad.
+&&C3H10NO: C3H8N
+b
+&&C3H10NO: C2H5N** C2H4N**
 &&C2H6NO: C2H5N C2H4N
 &&C3H9N: C3H8N* C2H5N C2H4N*

IDs and Links
MassBank	Trimethylamine N-oxide
CAS	1184-78-7
Keio ID	T051+

MassBank:KOX00884p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Trimethylamine N-oxide

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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