Ojima:KOX00537n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pyridoxamine

IDs and Links
MassBank	Pyridoxamine
CAS	85-87-0
Keio ID	P116-

Top 10 Similar Molecules of Pyridoxamine

Ranking	About scoring
G043+ Score:6.63 B072+ Score:6.23 A140+ Score:6.23 S044+ Score:5.53 S016+ Score:5.53 G021+ Score:5.53 B026+ Score:5.53 B009+ Score:5.53 S079+ Score:5.53 P014+ Score:5.53	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 C8H11N2O2:   G043+   Pages Related to Peak C7H7N2O:   A140+  B072+   Pages Related to Peak C7H8NO:   M037+  P014+  B009+  B026+  S044+   Pages Related to Peak C6H6NO:   A220+  B093+  S079+  G021+  S016+

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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。

KOX00537n	167 C8H11N2O2	135 C7H7N2O	122 C7H8NO	121 C7H7NO	108 C6H6NO	83 C4H3O2
167 C8H11N2O2
135 C7H7N2O	CH4O
122 C7H8NO	CH3NO
121 C7H7NO	CH4NO	N	H
108 C6H6NO	C2H5NO	CHN	CH2	CH
83 C4H3O2	C4H8N2

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