Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

3,5-Diiodo-tyrosine

[edit] Top 10 Similar Molecules of 3,5-Diiodo-tyrosine

Ranking	About scoring
KOX00870p Score:9.46 KOX00814p Score:9.46 KOX00807p Score:9.46 KOX00385p Score:9.46 KOX00748p Score:5.13 KOX00536p Score:5.13 KOX00510p Score:5.13 KOX00456p Score:5.13 KOX00895p Score:4.33 KOX00892p Score:4.33	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 C8H8NO: KOX00385p KOX00456p KOX00510p KOX00536p KOX00748p KOX00807p KOX00814p KOX00870p Pages Related to Peak C7H7O: KOX00160p KOX00189p KOX00236p KOX00385p KOX00514p KOX00580p KOX00658p KOX00722p KOX00723p KOX00807p KOX00808p KOX00814p KOX00836p KOX00870p KOX00880p KOX00881p KOX00882p KOX00892p KOX00895p

[edit] Annotations

Precursor	Product	Comments
C9H10I2NO3 (434)	C9H7I2O3 (417)	b
C9H10I2NO3 (434)	C8H8I2NO (388)	a
C8H8I2NO (388)	C8H8INO (261)	IT
C8H8INO (261)	C7H7IO (234)	IT
C8H8INO (261)	C8H8NO (134)	IT
C8H8INO (261)	C8H7NO (133)	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。

KOX00199p	434 C9H10I2NO3	417 C9H7I2O3	388 C8H8I2NO	290 C9H7IO3	261 C8H8INO	234 C7H7IO	134 C8H8NO	133 C8H7NO	107 C7H7O
434 C9H10I2NO3
417 C9H7I2O3	H3N
388 C8H8I2NO	CH2O2
290 C9H7IO3	H3IN	I
261 C8H8INO	CH2IO2		I
234 C7H7IO	C2H3INO2	C2IO2	CHIN	C2O2	CHN
134 C8H8NO	CH2I2O2		I2		I
133 C8H7NO	CH3I2O2		HI2		HI		H
107 C7H7O	C2H3I2NO2	C2I2O2	CHI2N	C2IO2	CHIN	I	CHN	CN

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@@ Line 2: / Line 2: @@
 &&C9H10I2NO3&&C9H7I2O3&&C8H8I2NO&&C9H7IO3&&C8H8INO&&C7H7IO&&C8H8NO&&C8H7NO&&C7H7O&&
-&&C9H10I2NO3: C9H7I2O3 C8H8I2NO
+&&C9H10I2NO3: C9H7I2O3
-&&C9H7I2O3: C9H7IO3
+b
+&&C9H10I2NO3: C8H8I2NO
+a
+&&C9H10I2NO3: C9H7IO3** C8H8INO** C7H7IO** C8H7NO** C7H7O**
+&&C9H7I2O3: C9H7IO3 C7H7IO** C7H7O**
 &&C8H8I2NO: C8H8INO
-&&C9H7IO3: C7H7IO
+IT
-&&C8H8INO: C7H7IO C8H8NO C8H7NO
+&&C8H8I2NO: C7H7IO** C8H8NO** C8H7NO** C7H7O**
+&&C9H7IO3: C7H7IO C7H7O**
+&&C8H8INO: C7H7IO
+IT
+&&C8H8INO: C8H8NO
+IT
+&&C8H8INO: C8H7NO
+IT
+&&C8H8INO: C7H7O**
 &&C7H7IO: C7H7O
-&&C8H8NO: C7H7O
+&&C8H8NO: C8H7NO* C7H7O
 &&C8H7NO: C7H7O
 }}

IDs and Links
MassBank	3,5-Diiodo-tyrosine
CAS	300-39-0 66-02-4
Keio ID	D056+

MassBank:KOX00199p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of 3,5-Diiodo-tyrosine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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