Ojima:PR100421p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3,5-Dibromo-L-tyrosine

IDs and Links
MassBank	3,5-Dibromo-L-tyrosine
CAS	300-38-9
Keio ID

Top 10 Similar Molecules of 3,5-Dibromo-L-tyrosine

Ranking	About scoring
H050+ Score:11.67 D056+ Score:11.67 S058+ Score:5.03 N028+ Score:5.03 M167+ Score:5.03 P113+ Score:5.03 P053+ Score:5.03 M127+ Score:5.03 I050+ 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。

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Page list for each fragment
Pages Related to Peak C9H10NO3:   H050+   Pages Related to Peak C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C8H7NO:   D056+

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。

Illegal ion order (check mass!): C7H5Br2O2 < C8H8BrNO
Illegal ion order (check mass!): C6H5BrO < C8H8NO

PR100421p	180 C9H10NO3	104 C8H8Br2NO	89 C7H5Br2O2	104 C8H8BrNO	77 C6H5BrO	134 C8H8NO	133 C8H7NO
180 C9H10NO3
104 C8H8Br2NO	CH2NO3
89 C7H5Br2O2	C2H5NO3	CH3
104 C8H8BrNO	CH2NO3
77 C6H5BrO	C3H5NO3	C2H3	C	C2H3
134 C8H8NO	CH2O2
133 C8H7NO	CH3O2					H

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