Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Quinoline

[edit] Top 10 Similar Molecules of Quinoline

Ranking	About scoring
KOX00811p Score:21.42 KOX00879p Score:17.81 KOX00797p Score:17.81 KOX00381p Score:17.81 KOX00379p Score:17.81 KOX00912p Score:17.42 KOX00809p Score:17.42 KOX00604p Score:14.75 KOX00422p Score:14.37 KOX00763p Score:13.91	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 C9H8N: KOX00238p KOX00325p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00582p KOX00604p KOX00647p KOX00738p KOX00763p KOX00797p KOX00798p KOX00809p KOX00811p KOX00866p KOX00879p KOX00912p Pages Related to Peak C7H6N: KOX00236p KOX00359p KOX00379p KOX00381p KOX00422p KOX00491p KOX00510p KOX00604p KOX00628p KOX00637p KOX00647p KOX00657p KOX00670p KOX00713p KOX00766p KOX00797p KOX00800p KOX00804p KOX00808p KOX00809p KOX00811p KOX00817p KOX00832p KOX00840p KOX00866p KOX00872p KOX00877p KOX00878p KOX00879p KOX00912p Pages Related to Peak C8H7: KOX00053p KOX00122p KOX00374p KOX00377p KOX00379p KOX00381p KOX00424p KOX00445p KOX00485p KOX00604p KOX00649p KOX00658p KOX00703p KOX00719p KOX00720p KOX00723p KOX00738p KOX00747p KOX00763p KOX00797p KOX00807p KOX00811p KOX00828p KOX00865p KOX00872p KOX00878p KOX00879p Pages Related to Peak C5H4N: KOX00034p KOX00231p KOX00317p KOX00325p KOX00388p KOX00422p KOX00462p KOX00491p KOX00510p KOX00520p KOX00531p KOX00536p KOX00642p KOX00647p KOX00657p KOX00690p KOX00693p KOX00697p KOX00730p KOX00745p KOX00749p KOX00754p KOX00757p KOX00760p KOX00788p KOX00789p KOX00800p KOX00809p KOX00810p KOX00811p KOX00817p KOX00826p KOX00831p KOX00832p KOX00840p KOX00847p KOX00859p KOX00886p KOX00900p KOX00912p 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 KOX00819p KOX00824p KOX00828p KOX00830p KOX00832p KOX00834p KOX00840p KOX00859p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p Pages Related to Peak C4H3: KOX00006p KOX00034p KOX00041p KOX00073p KOX00118p KOX00189p KOX00221p KOX00231p KOX00236p KOX00317p KOX00328p KOX00359p KOX00371p KOX00374p KOX00379p KOX00381p KOX00456p KOX00462p KOX00471p KOX00485p KOX00501p KOX00510p KOX00514p KOX00580p KOX00628p KOX00638p KOX00643p KOX00645p KOX00665p KOX00670p KOX00671p KOX00673p KOX00674p KOX00690p KOX00694p KOX00697p KOX00713p KOX00719p KOX00720p KOX00725p KOX00730p KOX00738p KOX00745p KOX00754p KOX00757p KOX00760p KOX00763p KOX00788p KOX00789p KOX00790p KOX00797p KOX00807p KOX00809p KOX00810p KOX00811p KOX00814p KOX00825p KOX00826p KOX00828p KOX00831p KOX00832p KOX00840p KOX00847p KOX00859p KOX00866p KOX00870p KOX00872p KOX00879p KOX00886p KOX00900p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C9H8N (130)	C7H6N (104)	x
C9H8N (130)	C8H7 (103)	b
C9H8N (130)	C5H4N (78)	c
C9H8N (130)	C6H5 (77)	a

[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。

KOX00860p	130 C9H8N	104 C7H6N	103 C8H7	78 C5H4N	77 C6H5	51 C4H3
130 C9H8N
104 C7H6N	C2H2
103 C8H7	CHN
78 C5H4N	C4H4	C2H2
77 C6H5	C3H3N	CHN	C2H2
51 C4H3	C5H5N	C3H3N	C4H4	CHN	C2H2

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

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

@@ Line 2: / Line 2: @@
 &&C9H8N&&C7H6N&&C8H7&&C5H4N&&C6H5&&C4H3&&
-&&C9H8N: C7H6N C8H7 C5H4N C6H5
+&&C9H8N: C7H6N
+x
+&&C9H8N: C8H7
+b
+&&C9H8N: C5H4N
+c
+&&C9H8N: C6H5
+a
 &&C7H6N: C5H4N C6H5
 &&C8H7: C6H5

IDs and Links
MassBank	Quinoline
CAS	91-22-5
Keio ID	Q008+

MassBank:KOX00860p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Quinoline

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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