Ojima:PR100422p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Chloro-L-tyrosine

IDs and Links
MassBank	3-Chloro-L-tyrosine
CAS	7423-93-0
Keio ID

Top 10 Similar Molecules of 3-Chloro-L-tyrosine

Ranking	About scoring
I050+ Score:15.05 S058+ Score:10.97 P113+ Score:9.1 P053+ Score:9.1 M127+ Score:9.1 T112+ Score:6.64 K005+ Score:6.23 B013+ Score:6.23 P059+ Score:5.94 N028+ Score:5.03	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

Page list for each fragment

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 C6H6ClO:   T112+   Pages Related to Peak C7H6Cl:   B013+  K005+   Pages Related to Peak C7H8N:   E012+  I050+  M040+  M053+  M127+  P014+  P053+  P113+  T054+  A035+  A036+  A068+  D032+  D178+  D180+  M101+  M103+  M111+  M172+  N016+  P061+  P206+  S041+  T031+  N044+

Annotations

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。

PR100422p	216 C9H11ClNO3	199 C9H8ClO3	181 C9H6ClO2	170 C8H9ClNO	153 C8H6ClO	135 C8H9NO	134 C8H8NO	129 C6H6ClO	125 C7H6Cl	106 C7H8N
216 C9H11ClNO3
199 C9H8ClO3	H3N
181 C9H6ClO2	H5NO	H2O
170 C8H9ClNO	CH2O2
153 C8H6ClO	CH5NO2	CH2O2	CO	H3N
135 C8H9NO	CH2ClO2			Cl
134 C8H8NO	CH3ClO2			HCl		H
129 C6H6ClO	C3H5NO2	C3H2O2	C3O	C2H3N	C2
125 C7H6Cl	C2H5NO3	C2H2O3	C2O2	CH3NO	CO
106 C7H8N	C2H3ClO3			CHClO		CHO	CO

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