MassBank:KOX00798p

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5-Methoxy-N,N-dimethyltryptamine

IDs and Links
MassBank	5-Methoxy-N,N-dimethyltryptamine
CAS	1019-45-0
Keio ID	M103+

Top 10 Similar Molecules of 5-Methoxy-N,N-dimethyltryptamine

Ranking	About scoring
KOX00424p Score:50.21 KOX00325p Score:46.1 KOX00433p Score:45.92 KOX00879p Score:33.23 KOX00797p Score:33.23 KOX00866p Score:29.94 KOX00377p Score:29.11 KOX00604p Score:28.09 KOX00582p Score:23.98 KOX00912p Score:20.37	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
C13H19N2O (219)	C11H12NO (174)	b
C13H19N2O (219)	C3H8N (58)	a
C11H12NO (174)	C10H9NO (159)	IT
C11H12NO (174)	C10H9N (143)	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。

KOX00798p	219 C13H19N2O	174 C11H12NO	159 C10H9NO	143 C10H9N	131 C9H9N	130 C9H8N	118 C8H8N	117 C8H7N	115 C9H7	106 C7H8N	91 C7H7	89 C7H5	58 C3H8N
219 C13H19N2O
174 C11H12NO	C2H7N
159 C10H9NO	C3H10N	CH3
143 C10H9N	C3H10NO	CH3O	O
131 C9H9N	C4H10NO	C2H3O	CO	C
130 C9H8N	C4H11NO	C2H4O	CHO	CH	H
118 C8H8N	C5H11NO	C3H4O	C2HO	C2H	CH	C
117 C8H7N	C5H12NO	C3H5O	C2H2O	C2H2	CH2	CH	H
115 C9H7	C4H12N2O	C2H5NO	CH2NO	CH2N	H2N	HN
106 C7H8N	C6H11NO	C4H4O	C3HO	C3H	C2H	C2	C
91 C7H7	C6H12N2O	C4H5NO	C3H2NO	C3H2N	C2H2N	C2HN	CHN	CN	C2	HN
89 C7H5	C6H14N2O	C4H7NO	C3H4NO	C3H4N	C2H4N	C2H3N	CH3N	CH2N	C2H2	H3N	H2
58 C3H8N	C10H11NO	C8H4O	C7HO	C7H	C6H	C6	C5			C4

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