Latest revision as of 13:43, 4 November 2009

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KOX PR PBX COX

Phosphoramidon

[edit] Top 10 Similar Molecules of Phosphoramidon

Ranking	About scoring
KOX00604p Score:17.89 KOX00582p Score:17.6 KOX00648p Score:11.95 KOX00838p Score:10.42 KOX00741p Score:10.42 KOX00662p Score:6.63 KOX00836p Score:5.94 KOX00658p Score:5.94 KOX00157p Score:5.94 KOX00694p Score:5.72	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 C11H10NO2: KOX00582p KOX00658p KOX00836p Pages Related to Peak C11H11N2O: KOX00604p KOX00648p Pages Related to Peak C11H8NO: KOX00157p KOX00582p KOX00604p Pages Related to Peak C5H13NO3P: KOX00741p KOX00838p Pages Related to Peak C10H11N2: KOX00582p KOX00604p KOX00648p KOX00694p Pages Related to Peak C4H9O3: KOX00662p Pages Related to Peak C5H12N: KOX00043p KOX00090p KOX00122p KOX00233p KOX00295p KOX00364p KOX00391p KOX00396p KOX00398p KOX00469p KOX00499p KOX00616p KOX00644p KOX00679p KOX00685p KOX00688p KOX00741p KOX00771p KOX00773p KOX00822p KOX00838p KOX00856p

[edit] Annotations

Precursor	Product	Comments
C23H35N3O10P (544)	C23H33N3O9P (526)	-H2O
C23H35N3O10P (544)	C17H25N3O6P (398)	c
C23H35N3O10P (544)	C17H23N3O5P (380)	c,-H2O
C23H35N3O10P (544)	C11H10NO2 (188)	i

[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。

KOX00539p	544 C23H35N3O10P	526 C23H33N3O9P	398 C17H25N3O6P	380 C17H23N3O5P	352 C16H23N3O4P	188 C11H10NO2	187 C11H11N2O	170 C11H8NO	166 C5H13NO3P	159 C10H11N2	105 C4H9O3	86 C5H12N
544 C23H35N3O10P
526 C23H33N3O9P	H2O
398 C17H25N3O6P	C6H10O4	C6H8O3
380 C17H23N3O5P	C6H12O5	C6H10O4	H2O
352 C16H23N3O4P	C7H12O6	C7H10O5	CH2O2	CO
188 C11H10NO2	C12H25N2O8P	C12H23N2O7P	C6H15N2O4P	C6H13N2O3P	C5H13N2O2P
187 C11H11N2O	C12H24NO9P	C12H22NO8P	C6H14NO5P	C6H12NO4P	C5H12NO3P
170 C11H8NO	C12H27N2O9P	C12H25N2O8P	C6H17N2O5P	C6H15N2O4P	C5H15N2O3P	H2O	H3N
166 C5H13NO3P	C18H22N2O7	C18H20N2O6	C12H12N2O3	C12H10N2O2	C11H10N2O
159 C10H11N2	C13H24NO10P	C13H22NO9P	C7H14NO6P	C7H12NO5P	C6H12NO4P		CO
105 C4H9O3	C19H26N3O7P	C19H24N3O6P	C13H16N3O3P	C13H14N3O2P	C12H14N3OP				CH4NP
86 C5H12N	C18H23N2O10P	C18H21N2O9P	C12H13N2O6P	C12H11N2O5P	C11H11N2O4P				HO3P

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@@ Line 1: / Line 1: @@
 {{MassBank/Matrix|data=
-&&C23H35N3O10P&&C23H33N3O9P&&C17H25N3O6P&&C17H23N3O5P&&C16H23N3O4P&&C23H36N3O10P&&C11H10NO2&&C11H11N2O&&C11H8NO&&C5H13NO3P&&C10H11N2&&C4H9O3&&C5H12N&&
+&&C23H35N3O10P&&C23H33N3O9P&&C17H25N3O6P&&C17H23N3O5P&&C16H23N3O4P&&C11H10NO2&&C11H11N2O&&C11H8NO&&C5H13NO3P&&C10H11N2&&C4H9O3&&C5H12N&&
 &&C23H35N3O10P: C23H33N3O9P
@@ Line 18: / Line 18: @@
 &&C11H10NO2: C11H8NO
 &&C11H11N2O: C11H8NO C10H11N2
-&&C8H12NO3: C5H12N*
 &&C5H13NO3P: C5H12N
 }}

IDs and Links
MassBank	Phosphoramidon
CAS	36357-77-4
Keio ID	P122+

MassBank:KOX00539p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Phosphoramidon

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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