Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Pipecolate

[edit] Top 10 Similar Molecules of Pipecolate

Ranking	About scoring
KOX00041p Score:19.9 KOX00393p Score:19.15 KOX00347p Score:19.15 KOX00095p Score:15.87 KOX00069p Score:15.87 KOX00769p Score:13.9 KOX00420p Score:13.9 KOX00343p Score:13.9 KOX00687p Score:10.61 KOX00887p Score:10.5	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 C6H12NO2: KOX00041p KOX00069p KOX00095p KOX00205p KOX00347p KOX00393p KOX00715p Pages Related to Peak C5H10N: KOX00041p KOX00069p KOX00095p KOX00343p KOX00347p KOX00393p KOX00420p KOX00459p KOX00647p KOX00648p KOX00654p KOX00655p KOX00659p KOX00661p KOX00687p KOX00766p KOX00769p KOX00811p KOX00861p KOX00862p KOX00868p KOX00890p KOX00900p Pages Related to Peak C4H7N: KOX00752p Pages Related to Peak C4H6N: KOX00041p KOX00051p KOX00056p KOX00062p KOX00086p KOX00136p KOX00138p KOX00215p KOX00229p KOX00308p KOX00313p KOX00325p KOX00335p KOX00487p KOX00547p KOX00642p KOX00662p KOX00698p KOX00744p KOX00749p KOX00750p KOX00757p KOX00791p KOX00793p KOX00887p KOX00911p Pages Related to Peak C5H7: KOX00016p KOX00041p KOX00043p KOX00067p KOX00069p KOX00095p KOX00126p KOX00174p KOX00197p KOX00290p KOX00292p KOX00343p KOX00347p KOX00393p KOX00420p KOX00469p KOX00491p KOX00499p KOX00512p KOX00633p KOX00645p KOX00647p KOX00649p KOX00661p KOX00685p KOX00687p KOX00691p KOX00709p KOX00710p KOX00731p KOX00736p KOX00747p KOX00762p KOX00767p KOX00769p KOX00770p KOX00782p KOX00784p KOX00808p KOX00819p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p Pages Related to Peak C3H6N: KOX00022p KOX00041p KOX00051p KOX00056p KOX00062p KOX00064p KOX00069p KOX00079p KOX00095p KOX00136p KOX00167p KOX00225p KOX00229p KOX00236p KOX00254p KOX00259p KOX00268p KOX00270p KOX00276p KOX00281p KOX00308p KOX00313p KOX00343p KOX00347p KOX00364p KOX00393p KOX00406p KOX00420p KOX00454p KOX00476p KOX00514p KOX00529p KOX00586p KOX00590p KOX00593p KOX00623p KOX00636p KOX00640p KOX00648p KOX00662p KOX00680p KOX00681p KOX00684p KOX00687p KOX00688p KOX00698p KOX00700p KOX00702p KOX00713p KOX00723p KOX00729p KOX00733p KOX00743p KOX00749p KOX00761p KOX00762p KOX00769p KOX00778p KOX00779p KOX00793p KOX00802p KOX00803p KOX00808p KOX00822p KOX00827p KOX00838p KOX00856p KOX00874p KOX00875p KOX00876p KOX00887p KOX00888p KOX00890p KOX00900p KOX00905p KOX00911p 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 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 KOX00861p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C6H12NO2 (130)	C5H10N (84)	a
C6H12NO2 (130)	C4H7N (69)	c,rad.
C6H12NO2 (130)	C4H6N (68)	c
C6H12NO2 (130)	C3H6N (56)	d
C6H12NO2 (130)	C4H7 (55)	b+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。

KOX00508p	130 C6H12NO2	84 C5H10N	69 C4H7N	68 C4H6N	67 C5H7	56 C3H6N	55 C4H7
130 C6H12NO2
84 C5H10N	CH2O2
69 C4H7N	C2H5O2	CH3
68 C4H6N	C2H6O2	CH4	H
67 C5H7	CH5NO2	H3N
56 C3H6N	C3H6O2	C2H4	CH	C
55 C4H7	C2H5NO2	CH3N	N		C

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

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@@ Line 2: / Line 2: @@
 &&C6H12NO2&&C5H10N&&C4H7N&&C4H6N&&C5H7&&C3H6N&&C4H7&&
-&&C6H12NO2: C5H10N C4H7N C4H6N C5H7** C3H6N C4H7
+&&C6H12NO2: C5H10N
+a
+&&C6H12NO2: C4H7N
+c,rad.
+&&C6H12NO2: C4H6N
+c
+&&C6H12NO2: C5H7**
+&&C6H12NO2: C3H6N
+d
+&&C6H12NO2: C4H7
+b+c
 &&C5H10N: C4H7N* C4H6N* C5H7 C3H6N C4H7
 &&C4H7N: C4H6N* C3H6N* C4H7*

IDs and Links
MassBank	Pipecolate
CAS	3105-95-1
Keio ID	P048+

MassBank:KOX00508p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Pipecolate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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