MassBank:KOX00648p

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Ion Frequency

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Aminopyrine

IDs and Links
MassBank	Aminopyrine
CAS	58-15-1
Keio ID	A069+

Top 10 Similar Molecules of Aminopyrine

Ranking	About scoring
KOX00890p Score:27.12 KOX00912p Score:21.37 KOX00811p Score:19.55 KOX00604p Score:19.16 KOX00655p Score:15.69 KOX00687p Score:15.3 KOX00343p Score:15.22 KOX00647p Score:15.05 KOX00866p Score:13.85 KOX00694p Score:12.96	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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Annotations

Precursor	Product	Comments
C13H18N3O (232)	C12H14N3O (216)	d[e]
C13H18N3O (232)	C11H11N2O (187)	b
C13H18N3O (232)	C6H13N2 (113)	a
C13H18N3O (232)	C6H11N2 (111)	a
C13H18N3O (232)	C6H8N (94)	c+f
C13H18N3O (232)	C6H7N (93)	c+f,rad.
C13H18N3O (232)	C5H8N (82)	g
C11H11N2O (187)	C10H11N2 (159)	IT
C6H13N2 (113)	C5H10N2 (98)	IT
C6H13N2 (113)	C5H9N2 (97)	IT
C6H13N2 (113)	C5H8N (82)	IT

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。

KOX00648p	232 C13H18N3O	216 C12H14N3O	202 C11H12N3O	187 C11H11N2O	177 C10H13N2O	159 C10H11N2	149 C9H13N2	118 C8H8N	113 C6H13N2	111 C6H11N2	98 C5H10N2	97 C5H9N2	94 C6H8N	93 C6H7N	84 C5H10N	82 C5H8N	72 C4H10N	70 C4H8N	58 C3H8N	56 C3H6N
232 C13H18N3O
216 C12H14N3O	CH4
202 C11H12N3O	C2H6	CH2
187 C11H11N2O	C2H7N	CH3N	HN
177 C10H13N2O	C3H5N	C2HN
159 C10H11N2	C3H7NO	C2H3NO	CHNO	CO	H2O
149 C9H13N2	C4H5NO	C3HNO			CO
118 C8H8N	C5H10N2O	C4H6N2O	C3H4N2O	C3H3NO	C2H5NO	C2H3N	CH5N
113 C6H13N2	C7H5NO	C6HNO			C4O		C3
111 C6H11N2	C7H7NO	C6H3NO	C5HNO	C5O	C4H2O	C4	C3H2		H2
98 C5H10N2	C8H8NO	C7H4NO	C6H2NO	C6HO	C5H3O	C5H	C4H3		CH3	CH
97 C5H9N2	C8H9NO	C7H5NO	C6H3NO	C6H2O	C5H4O	C5H2	C4H4		CH4	CH2	H
94 C6H8N	C7H10N2O	C6H6N2O	C5H4N2O	C5H3NO	C4H5NO	C4H3N	C3H5N	C2	H5N	H3N
93 C6H7N	C7H11N2O	C6H7N2O	C5H5N2O	C5H4NO	C4H6NO	C4H4N	C3H6N	C2H	H6N	H4N			H
84 C5H10N	C8H8N2O	C7H4N2O	C6H2N2O	C6HNO	C5H3NO	C5HN	C4H3N		CH3N	CHN	N
82 C5H8N	C8H10N2O	C7H6N2O	C6H4N2O	C6H3NO	C5H5NO	C5H3N	C4H5N	C3	CH5N	CH3N	H2N	HN	C		H2
72 C4H10N	C9H8N2O	C8H4N2O	C7H2N2O	C7HNO	C6H3NO	C6HN	C5H3N		C2H3N	C2HN	CN				C
70 C4H8N	C9H10N2O	C8H6N2O	C7H4N2O	C7H3NO	C6H5NO	C6H3N	C5H5N	C4	C2H5N	C2H3N	CH2N	CHN	C2		CH2	C	H2
58 C3H8N	C10H10N2O	C9H6N2O	C8H4N2O	C8H3NO	C7H5NO	C7H3N	C6H5N	C5	C3H5N	C3H3N	C2H2N	C2HN	C3		C2H2	C2	CH2	C
56 C3H6N	C10H12N2O	C9H8N2O	C8H6N2O	C8H5NO	C7H7NO	C7H5N	C6H7N	C5H2	C3H7N	C3H5N	C2H4N	C2H3N	C3H2	C3H	C2H4	C2H2	CH4	CH2	H2

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