Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Diazoxide

[edit] Top 10 Similar Molecules of Diazoxide

Ranking	About scoring
KOX00912p Score:2.66 KOX00903p Score:2.66 KOX00900p Score:2.66 KOX00892p Score:2.66 KOX00886p Score:2.66 KOX00880p Score:2.66 KOX00879p Score:2.66 KOX00878p Score:2.66 KOX00877p Score:2.66 KOX00875p Score:2.66	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 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 KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C8H8ClN2O2S (231)	C6H5ClNO2S (190)	a
C8H8ClN2O2S (231)	C6H5ClN (126)	a+b
C6H5ClNO2S (190)	C6H5ClN (126)	IT

[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。

KOX00195p	231 C8H8ClN2O2S	190 C6H5ClNO2S	126 C6H5ClN	77 C6H5
231 C8H8ClN2O2S
190 C6H5ClNO2S	C2H3N
126 C6H5ClN	C2H3NO2S	O2S
77 C6H5	C2H3ClN2O2S	ClNO2S	ClN

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 {{MassBank/Matrix|data=
-&&C8H8N2O2SCl&&C6H5ClNO2S&&C6H5ClN&&C6H5&&
+&&C8H8ClN2O2S&&C6H5ClNO2S&&C6H5ClN&&C6H5&&
-&&C8H8N2O2SCl: C6H5ClNO2S C6H5ClN
+&&C8H8ClN2O2S: C6H5ClNO2S
+a
+&&C8H8ClN2O2S: C6H5ClN
+a+b
+&&C8H8ClN2O2S: C6H5**
 &&C6H5ClNO2S: C6H5ClN
+IT
+&&C6H5ClNO2S: C6H5**
+&&C6H5ClN: C6H5**
 }}

IDs and Links
MassBank	Diazoxide
CAS	364-98-7
Keio ID	D051+

MassBank:KOX00195p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Diazoxide

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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