Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Oxidized glutathione

[edit] Top 10 Similar Molecules of Oxidized glutathione

Ranking	About scoring
KOX00733p Score:4.93 KOX00529p Score:4.93 KOX00476p Score:4.93 KOX00281p Score:4.93 KOX00270p Score:4.93 KOX00268p Score:4.93 KOX00259p Score:4.93 KOX00254p Score:4.93 KOX00225p Score:4.93 KOX00022p Score:4.93	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 C5H8NO3: KOX00022p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00476p KOX00529p KOX00733p

[edit] Annotations

Precursor	Product	Comments
C20H33N6O12S2 (613)	C20H31N6O11S2 (595)	-H2O
C20H33N6O12S2 (613)	C18H28N5O10S2 (538)	b[e]
C20H33N6O12S2 (613)	C15H26N5O9S2 (484)	a
C15H26N5O9S2 (484)	C15H24N5O8S2 (466)	IT
C15H26N5O9S2 (484)	C10H19N4O6S2 (355)	IT
C10H19N4O6S2 (355)	C5H9N2O3S (177)	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。

KOX00734p	613 C20H33N6O12S2	595 C20H31N6O11S2	538 C18H28N5O10S2	484 C15H26N5O9S2	466 C15H24N5O8S2	409 C13H21N4O7S2	355 C10H19N4O6S2	235 C7H11N2O3S2	231 C8H11N2O4S	211 C5H11N2O3S2	177 C5H9N2O3S	130 C5H8NO3
613 C20H33N6O12S2
595 C20H31N6O11S2	H2O
538 C18H28N5O10S2	C2H5NO2	C2H3NO
484 C15H26N5O9S2	C5H7NO3	C5H5NO2	C3H2O
466 C15H24N5O8S2	C5H9NO4	C5H7NO3	C3H4O2	H2O
409 C13H21N4O7S2	C7H12N2O5	C7H10N2O4	C5H7NO3	C2H5NO2	C2H3NO
355 C10H19N4O6S2	C10H14N2O6	C10H12N2O5	C8H9NO4	C5H7NO3	C5H5NO2	C3H2O
235 C7H11N2O3S2	C13H22N4O9	C13H20N4O8	C11H17N3O7	C8H15N3O6	C8H13N3O5	C6H10N2O4	C3H8N2O3
231 C8H11N2O4S	C12H22N4O8S	C12H20N4O7S	C10H17N3O6S	C7H15N3O5S	C7H13N3O4S	C5H10N2O3S	C2H8N2O2S
211 C5H11N2O3S2	C15H22N4O9	C15H20N4O8	C13H17N3O7	C10H15N3O6	C10H13N3O5	C8H10N2O4	C5H8N2O3	C2
177 C5H9N2O3S	C15H24N4O9S	C15H22N4O8S	C13H19N3O7S	C10H17N3O6S	C10H15N3O5S	C8H12N2O4S	C5H10N2O3S	C2H2S	C3H2O	H2S
130 C5H8NO3	C15H25N5O9S2	C15H23N5O8S2	C13H20N4O7S2	C10H18N4O6S2	C10H16N4O5S2	C8H13N3O4S2	C5H11N3O3S2	C2H3NS2	C3H3NOS	H3NS2	HNS

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

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@@ Line 2: / Line 2: @@
 &&C20H33N6O12S2&&C20H31N6O11S2&&C18H28N5O10S2&&C15H26N5O9S2&&C15H24N5O8S2&&C13H21N4O7S2&&C10H19N4O6S2&&C7H11N2O3S2&&C8H11N2O4S&&C5H11N2O3S2&&C5H9N2O3S&&C5H8NO3&&
-&&C20H33N6O12S2: C20H31N6O11S2 C18H28N5O10S2 C15H26N5O9S2
+&&C20H33N6O12S2: C20H31N6O11S2
-&&C20H31N6O11S2: C18H28N5O10S2 C15H26N5O9S2 C15H24N5O8S2
+-H2O
-&&C18H28N5O10S2: C15H26N5O9S2 C8H11N2O4S
+&&C20H33N6O12S2: C18H28N5O10S2
-&&C15H26N5O9S2: C15H24N5O8S2 C10H19N4O6S2 C5H9N2O3S
+b[e]
-&&C15H24N5O8S2: C10H19N4O6S2 C5H9N2O3S
+&&C20H33N6O12S2: C15H26N5O9S2
+a
+&&C20H33N6O12S2: C15H24N5O8S2** C10H19N4O6S2** C8H11N2O4S** C5H9N2O3S**
+&&C20H31N6O11S2: C18H28N5O10S2 C15H26N5O9S2 C15H24N5O8S2 C10H19N4O6S2** C8H11N2O4S** C5H9N2O3S**
+&&C18H28N5O10S2: C15H26N5O9S2 C15H24N5O8S2** C10H19N4O6S2** C8H11N2O4S C5H9N2O3S**
+&&C15H26N5O9S2: C15H24N5O8S2
+IT
+&&C15H26N5O9S2: C10H19N4O6S2
+IT
+&&C15H26N5O9S2: C8H11N2O4S* C5H9N2O3S
+&&C15H24N5O8S2: C10H19N4O6S2 C8H11N2O4S* C5H9N2O3S
+&&C10H19N4O6S2: C7H11N2O3S2** C8H11N2O4S*
 &&C10H19N4O6S2: C5H9N2O3S
+IT
+&&C7H11N2O3S2: C5H11N2O3S2*
 &&C8H11N2O4S: C5H9N2O3S
 }}

IDs and Links
MassBank	Oxidized glutathione
CAS	27025-41-8
Keio ID	G008+

MassBank:KOX00734p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Oxidized glutathione

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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