Ojima:PR100882n

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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
C063+ Score:10.71 S058+ Score:5.03 N028+ Score:5.03 M167+ Score:5.03 H050+ Score:5.03 P113+ Score:5.03 P053+ Score:5.03 M127+ Score:5.03 I050+ Score:5.03 D056+ 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 C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C8H5O:   C063+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  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。

PR100882n	214 C9H9ClNO3	197 C9H6ClO3	153 C8H6ClO	134 C8H8NO	117 C8H5O	89 C7H5	72 C2H2NO2
214 C9H9ClNO3
197 C9H6ClO3	H3N
153 C8H6ClO	CH3NO2	CO2
134 C8H8NO	CHClO2
117 C8H5O	CH4ClNO2	CHClO2	HCl	H3N
89 C7H5	C2H4ClNO3	C2HClO3	CHClO	CH3NO	CO
72 C2H2NO2	C7H7ClO

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