Ojima:COX00001p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4_Aminoantipyrine

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MassBank	4_Aminoantipyrine
CAS
Keio ID

Top 10 Similar Molecules of 4_Aminoantipyrine

Ranking	About scoring
T054+ Score:24.64 H139+ Score:20.98 A069+ Score:18.12 K004+ Score:15.73 T003+ Score:13.73 Q001+ Score:13.44 D087+ Score:13.16 E033+ Score:13.16 E007+ Score:12.8 C172+ Score:11.86	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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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。

COX00001p	204 C11H14N3O	189 C10H11N3O	187 C11H11N2O	159 C10H11N2	146 C9H8NO	104 C7H6N	95 C6H7O	94 C6H8N	83 C4H7N2	77 C6H5	56 C3H6N
204 C11H14N3O
189 C10H11N3O	CH3
187 C11H11N2O	H3N
159 C10H11N2	CH3NO	NO	CO
146 C9H8NO	C2H6N2	CH3N2	C2H3N
104 C7H6N	C4H8N2O	C3H5N2O	C4H5NO	C3H5N	C2H2O
95 C6H7O	C5H7N3	C4H4N3	C5H4N2		C3HN
94 C6H8N	C5H6N2O	C4H3N2O	C5H3NO	C4H3N	C3O
83 C4H7N2	C7H7NO	C6H4NO	C7H4O	C6H4
77 C6H5	C5H9N3O	C4H6N3O	C5H6N2O	C4H6N2	C3H3NO	CHN	H2O	H3N
56 C3H6N	C8H8N2O	C7H5N2O	C8H5NO	C7H5N	C6H2O	C4		C3H2	CHN

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