Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Leu-Leu-Tyr

[edit] Top 10 Similar Molecules of Leu-Leu-Tyr

Ranking	About scoring
KOX00580p Score:23.28 KOX00880p Score:10 KOX00667p Score:10 KOX00838p Score:8.02 KOX00679p Score:8.02 KOX00364p Score:8.02 KOX00766p Score:5.38 KOX00687p Score:5.38 KOX00073p Score:5.38 KOX00895p Score:4.62	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 C9H12NO3: KOX00580p Pages Related to Peak C9H9O3: KOX00580p Pages Related to Peak C8H10NO: KOX00073p KOX00580p KOX00667p KOX00687p KOX00766p KOX00880p Pages Related to Peak C8H7O: KOX00189p KOX00236p KOX00580p KOX00658p KOX00667p KOX00722p KOX00725p KOX00836p KOX00859p KOX00870p KOX00880p KOX00882p KOX00883p KOX00895p Pages Related to Peak C5H12N: KOX00043p KOX00090p KOX00122p KOX00233p KOX00295p KOX00364p KOX00391p KOX00396p KOX00469p KOX00499p KOX00539p KOX00616p KOX00644p KOX00679p KOX00685p KOX00688p KOX00741p KOX00771p KOX00773p KOX00822p KOX00838p KOX00856p Pages Related to Peak C4H8N: KOX00024p KOX00029p KOX00064p KOX00138p KOX00279p KOX00306p KOX00364p KOX00440p KOX00474p KOX00478p KOX00487p KOX00512p KOX00635p KOX00638p KOX00648p KOX00652p KOX00655p KOX00676p KOX00679p KOX00698p KOX00736p KOX00743p KOX00752p KOX00818p KOX00827p KOX00830p KOX00838p KOX00848p KOX00873p KOX00874p KOX00890p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C21H34N3O5 (408)	C15H23N2O4 (295)	d
C21H34N3O5 (408)	C12H23N2O2 (227)	c,-NH3
C21H34N3O5 (408)	C11H23N2O (199)	b
C21H34N3O5 (408)	C9H12NO3 (182)	e
C21H34N3O5 (408)	C9H9O3 (165)	f
C21H34N3O5 (408)	C5H12N (86)	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。

KOX00398p	408 C21H34N3O5	295 C15H23N2O4	227 C12H23N2O2	199 C11H23N2O	182 C9H12NO3	165 C9H9O3	136 C8H10NO	119 C8H7O	86 C5H12N	70 C4H8N
408 C21H34N3O5
295 C15H23N2O4	C6H11NO
227 C12H23N2O2	C9H11NO3	C3O2
199 C11H23N2O	C10H11NO4	C4O3	CO
182 C9H12NO3	C12H22N2O2	C6H11NO
165 C9H9O3	C12H25N3O2	C6H14N2O			H3N
136 C8H10NO	C13H24N2O4	C7H13NO3	C4H13NO	C3H13N	CH2O2
119 C8H7O	C13H27N3O4	C7H16N2O3	C4H16N2O	C3H16N2	CH5NO2	CH2O2	H3N
86 C5H12N	C16H22N2O5	C10H11NO4	C7H11NO2	C6H11NO	C4O3
70 C4H8N	C17H26N2O5	C11H15NO4	C8H15NO2	C7H15NO	C5H4O3		C4H2O		CH4

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IDs and Links
MassBank	Leu-Leu-Tyr
CAS	20368-24-5
Keio ID	L007+

MassBank:KOX00398p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Leu-Leu-Tyr

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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