Revision as of 16:58, 3 July 2009

All Molecules
KOX PR PBX COX

N8-Acetylspermidine

Top 10 Similar Molecules of N8-Acetylspermidine

Ranking	About scoring
KOX00654p Score:35.69 KOX00861p Score:33.44 KOX00862p Score:23.52 KOX00641p Score:19.75 KOX00478p Score:16.95 KOX00343p Score:16.57 KOX00648p Score:15.69 KOX00079p Score:12.93 KOX00830p Score:12.84 KOX00818p Score:11.23	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。

Links

Page list for each fragment
Pages Related to Peak C9H19N2O: KOX00654p Pages Related to Peak C7H20N3: KOX00861p Pages Related to Peak C7H15N2O: KOX00095p KOX00295p Pages Related to Peak C6H15N2O: KOX00641p Pages Related to Peak C7H17N2: KOX00654p KOX00861p KOX00862p Pages Related to Peak C6H12NO: KOX00043p KOX00478p KOX00641p KOX00874p Pages Related to Peak C7H14N: KOX00654p KOX00830p KOX00861p KOX00862p Pages Related to Peak C5H10NO: KOX00079p KOX00343p KOX00654p KOX00718p KOX00776p Pages Related to Peak C5H10N: KOX00041p KOX00069p KOX00095p KOX00343p KOX00347p KOX00393p KOX00420p KOX00459p KOX00508p KOX00647p KOX00648p KOX00654p KOX00659p KOX00661p KOX00687p KOX00766p KOX00769p KOX00811p KOX00861p KOX00862p KOX00868p KOX00890p KOX00900p Pages Related to Peak C4H10N: KOX00024p KOX00029p KOX00079p KOX00100p KOX00233p KOX00464p KOX00478p KOX00623p KOX00641p KOX00648p KOX00653p KOX00654p KOX00669p KOX00676p KOX00762p KOX00773p KOX00818p KOX00820p KOX00848p KOX00854p KOX00856p KOX00861p KOX00862p KOX00908p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00398p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00648p KOX00652p KOX00676p KOX00679p 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 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 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 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

Annotations

Precursor	Product	Comments
C9H22N3O (188)	C9H19N2O (171)	f
C9H22N3O (188)	C9H20N3 (170)	i
C9H22N3O (188)	C7H20N3 (146)	e
C9H22N3O (188)	C7H15N2O (143)	a
C9H22N3O (188)	C6H15N2O (131)	g
C9H22N3O (188)	C7H17N2 (129)	e,-NH3
C9H22N3O (188)	C6H12NO (114)	c
C9H22N3O (188)	C5H10NO (100)	h
C9H22N3O (188)	C3H8N (58)	b
C6H12NO (114)	C4H10N (72)	IT
C7H14N (112)	C5H10N (84)	IT
C7H14N (112)	C4H8N (70)	IT

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。

KOX00655p	188 C9H22N3O	171 C9H19N2O	170 C9H20N3	146 C7H20N3	143 C7H15N2O	131 C6H15N2O	129 C7H17N2	114 C6H12NO	112 C7H14N	100 C5H10NO	84 C5H10N	72 C4H10N	70 C4H8N	58 C3H8N	55 C4H7
188 C9H22N3O
171 C9H19N2O	H3N
170 C9H20N3	H2O
146 C7H20N3	C2H2O		C2
143 C7H15N2O	C2H7N	C2H4
131 C6H15N2O	C3H7N	C3H4			C
129 C7H17N2	C2H5NO	C2H2O	C2H3N	H3N
114 C6H12NO	C3H10N2	C3H7N			CH3N	H3N
112 C7H14N	C2H8N2O	C2H5NO	C2H6N2	H6N2	HNO		H3N
100 C5H10NO	C4H12N2	C4H9N			C2H5N	CH5N		CH2
84 C5H10N	C4H12N2O	C4H9NO	C4H10N2	C2H10N2	C2H5NO	CH5NO	C2H7N	CH2O	C2H4	O
72 C4H10N	C5H12N2O	C5H9NO	C5H10N2	C3H10N2	C3H5NO	C2H5NO	C3H7N	C2H2O	C3H4	CO	C
70 C4H8N	C5H14N2O	C5H11NO	C5H12N2	C3H12N2	C3H7NO	C2H7NO	C3H9N	C2H4O	C3H6	CH2O	CH2	H2
58 C3H8N	C6H14N2O	C6H11NO	C6H12N2	C4H12N2	C4H7NO	C3H7NO	C4H9N	C3H4O	C4H6	C2H2O	C2H2	CH2	C
55 C4H7	C5H15N3O	C5H12N2O	C5H13N3	C3H13N3	C3H8N2O	C2H8N2O	C3H10N2	C2H5NO	C3H7N	CH3NO	CH3N	H3N	HN

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

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

@@ Line 2: / Line 2: @@
 &&C9H22N3O&&C9H19N2O&&C9H20N3&&C7H20N3&&C7H15N2O&&C6H15N2O&&C7H17N2&&C6H12NO&&C7H14N&&C5H10NO&&C5H10N&&C4H10N&&C4H8N&&C3H8N&&C4H7&&
-&&C9H22N3O: C9H19N2O C9H20N3 C7H20N3 C7H15N2O C6H15N2O C7H17N2 C6H12NO C7H14N** C5H10NO C5H10N** C4H10N** C4H8N** C3H8N C4H7**
+&&C9H22N3O: C9H19N2O
+f
+&&C9H22N3O: C9H20N3
+i
+&&C9H22N3O: C7H20N3
+e
+&&C9H22N3O: C7H15N2O
+a
+&&C9H22N3O: C6H15N2O
+g
+&&C9H22N3O: C7H17N2
+e,-NH3
+&&C9H22N3O: C6H12NO
+c
+&&C9H22N3O: C7H14N**
+&&C9H22N3O: C5H10NO
+h
+&&C9H22N3O: C5H10N** C4H10N** C4H8N**
+&&C9H22N3O: C3H8N
+b
+&&C9H22N3O: C4H7**
 &&C9H19N2O: C7H15N2O C6H15N2O C7H17N2 C6H12NO C7H14N C5H10NO C5H10N C4H10N C4H8N C3H8N* C4H7**
 &&C9H20N3: C7H20N3* C7H17N2 C7H14N** C5H10N** C4H10N** C4H8N** C3H8N C4H7**
@@ Line 9: / Line 29: @@
 &&C6H15N2O: C6H12NO C5H10NO C5H10N* C4H10N C4H8N C3H8N* C4H7**
 &&C7H17N2: C7H14N C5H10N C4H10N C4H8N C3H8N C4H7
-&&C6H12NO: C5H10NO* C5H10N* C4H10N C4H8N C3H8N* C4H7
+&&C6H12NO: C5H10NO* C5H10N*
-&&C7H14N: C5H10N C4H10N C4H8N C3H8N* C4H7
+&&C6H12NO: C4H10N
+IT
+&&C6H12NO: C4H8N C3H8N* C4H7
+&&C7H14N: C5H10N
+IT
+&&C7H14N: C4H10N
+&&C7H14N: C4H8N
+IT
+&&C7H14N: C3H8N* C4H7
 &&C5H10NO: C5H10N* C4H10N* C4H8N* C3H8N* C4H7*
 &&C5H10N: C4H10N* C4H8N* C3H8N* C4H7

IDs and Links
MassBank	N8-Acetylspermidine
CAS	34450-15-2
Keio ID	A112+

MassBank:KOX00655p

Revision as of 16:58, 3 July 2009

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Top 10 Similar Molecules of N8-Acetylspermidine

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Precursor-Product Relationship

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