MassBank:KOX00385p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Iodotyrosine

IDs and Links
MassBank	3-Iodotyrosine
CAS	70-78-0
Keio ID	I050+

Top 10 Similar Molecules of 3-Iodotyrosine

Ranking	About scoring
KOX00514p Score:20.87 KOX00870p Score:19.36 KOX00748p Score:13.68 KOX00510p Score:13.1 KOX00912p Score:11.64 KOX00811p Score:11.64 KOX00647p Score:11.64 KOX00160p Score:10.97 KOX00814p Score:9.46 KOX00807p Score:9.46	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。

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Annotations

Precursor	Product	Comments
C9H11INO3 (308)	C9H8IO3 (291)	b
C9H11INO3 (308)	C8H9INO (262)	a
C9H8IO3 (291)	C9H6IO2 (273)	IT
C9H8IO3 (291)	C8H6IO (245)	IT
C9H8IO3 (291)	C9H8O3 (164)	IT
C9H8IO3 (291)	C9H7O3 (163)	IT
C9H6IO2 (273)	C8H6IO (245)	IT
C9H6IO2 (273)	C9H6O2 (146)	IT
C8H9INO (262)	C8H6IO (245)	IT
C8H9INO (262)	C8H9NO (135)	IT
C8H9INO (262)	C8H8NO (134)	IT
C8H6IO (245)	C8H6O (118)	IT
C9H8O3 (164)	C9H6O2 (146)	IT
C8H9NO (135)	C8H8N (118)	ITd
C8H9NO (135)	C8H6O (118)	ITd
C8H9NO (135)	C7H8O (108)	IT

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。

KOX00385p	308 C9H11INO3	291 C9H8IO3	273 C9H6IO2	262 C8H9INO	245 C8H6IO	164 C9H8O3	163 C9H7O3	146 C9H6O2	136 C8H8O2	135 C8H9NO	134 C8H8NO	120 C7H6NO	118 C8H8N	118 C8H6O	108 C7H8O	107 C7H7O	106 C7H8N	94 C6H6O	80 C5H6N
308 C9H11INO3
291 C9H8IO3	H3N
273 C9H6IO2	H5NO	H2O
262 C8H9INO	CH2O2
245 C8H6IO	CH5NO2	CH2O2	CO	H3N
164 C9H8O3	H3IN	I
163 C9H7O3	H4IN	HI				H
146 C9H6O2	H5INO	H2IO	I			H2O	HO
136 C8H8O2	CH3INO	CIO				CO
135 C8H9NO	CH2IO2			I
134 C8H8NO	CH3IO2			HI						H
120 C7H6NO	C2H5IO2			CH3I						CH3	CH2
118 C8H8N	CH3IO3			HIO						HO	O
118 C8H6O	CH5INO2	CH2IO2	CIO	H3IN	I	CH2O2	CHO2	CO	H2O	H3N	H2N
108 C7H8O	C2H3INO2	C2IO2		CHIN		C2O2			CO	CHN	CN
107 C7H7O	C2H4INO2	C2HIO2		CH2IN		C2HO2	C2O2		CHO	CH2N	CHN				H
106 C7H8N	C2H3IO3			CHIO						CHO	CO		C
94 C6H6O	C3H5INO2	C3H2IO2	C3IO	C2H3IN	C2I	C3H2O2	C3HO2	C3O	C2H2O	C2H3N	C2H2N	CN		C2	CH2	CH
80 C5H6N	C4H5IO3			C3H3IO						C3H3O	C3H2O	C2O	C3H2				C2H2

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