Ojima:KOX00385p

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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

[show] Ranking	About scoring
I050+ Score:92.91 P059+ Score:20.1 S058+ Score:18.89 H050+ Score:13.48 C063+ Score:10.51 N028+ Score:9.31 M167+ Score:9.31 D056+ Score:9.31 P053+ Score:8.86 P079+ Score:8.45	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。

Links

[show] Page list for each fragment

Pages Related to Peak C9H11INO3:   I050+   Pages Related to Peak C9H8IO3:   I050+   Pages Related to Peak C9H6IO2:   I050+   Pages Related to Peak C8H9INO:   I050+   Pages Related to Peak C8H6IO:   I050+   Pages Related to Peak C9H8O3:   I050+   Pages Related to Peak C9H7O3:   C063+  I050+   Pages Related to Peak C8H9NO:   I050+  P059+  S058+   Pages Related to Peak C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C7H6NO:   A010+  A043+  B072+  I019+  I050+  X004+  B011+  H050+  K004+  P079+  P190+  P191+  P209+  T060+   Pages Related to Peak C8H8N:   A067+  C057+  E033+  E034+  H027+  H139+  I025+  I050+  M040+  M053+  P002+  P059+  P075+  T002+  T003+  T054+  A068+  A069+  A123+  A137+  B013+  C043+  D039+  D122+  E007+  K004+  M101+  M103+  M169+  M172+  N016+  P070+  Q001+  S041+  S058+  T030+  T031+  T032+  N044+   Pages Related to Peak C8H6O:   I050+   Pages Related to Peak C7H8O:   I050+   Pages Related to Peak C7H7O:   C063+  D046+  D056+  E033+  I050+  P059+  T002+  A137+  D185+  E007+  M167+  M169+  N028+  P070+  S058+  T032+  T033+  T041+  T126+  V021+   Pages Related to Peak C6H6O:   I050+  P059+   Pages Related to Peak C5H6N:   A042+  A220+  B072+  D057+  E012+  G101+  I050+  N004+  P053+  P094+  R016+  S079+  A068+  B026+  D180+  G021+  G046+  H050+  H097+  I017+  I051+  M013+  M063+  N001+  N016+  P035+  P041+  P079+  P183+  S016+  M022+  N044+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] KOX00385p	308 C9H11INO3	291 C9H8IO3	273 C9H6IO2	262 C8H9INO	245 C8H6IO	164 C9H8O3	163 C9H7O3	135 C8H9NO	134 C8H8NO	120 C7H6NO	118 C8H8N	118 C8H6O	108 C7H8O	107 C7H7O	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
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	H3N	H2N
108 C7H8O	C2H3INO2	C2IO2		CHIN		C2O2		CHN	CN
107 C7H7O	C2H4INO2	C2HIO2		CH2IN		C2HO2	C2O2	CH2N	CHN				H
94 C6H6O	C3H5INO2	C3H2IO2	C3IO	C2H3IN	C2I	C3H2O2	C3HO2	C2H3N	C2H2N	CN		C2	CH2	CH
80 C5H6N	C4H5IO3			C3H3IO				C3H3O	C3H2O	C2O	C3H2

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