MassBank:KOX00637p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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4-Aminoindole

IDs and Links
MassBank	4-Aminoindole
CAS	5192-23-4
Keio ID	A035+

Top 10 Similar Molecules of 4-Aminoindole

Ranking	About scoring
KOX00638p Score:22.77 KOX00912p Score:22.61 KOX00879p Score:22.61 KOX00866p Score:22.61 KOX00811p Score:22.61 KOX00797p Score:22.61 KOX00604p Score:22.61 KOX00231p Score:20.19 KOX00809p Score:18.5 KOX00720p Score:18.36	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
C8H9N2 (133)	C8H7N (117)	b,rad.
C8H9N2 (133)	C8H6N (116)	b
C8H9N2 (133)	C7H8N (106)	a
C8H9N2 (133)	C7H6N (104)	a
C8H9N2 (133)	C6H7N (93)	e,-NH3,rad.

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。

KOX00637p	133 C8H9N2	117 C8H7N	116 C8H6N	106 C7H8N	104 C7H6N	93 C6H7N	89 C7H5	79 C6H7	77 C6H5
133 C8H9N2
117 C8H7N	H2N
116 C8H6N	H3N	H
106 C7H8N	CHN
104 C7H6N	CH3N	CH	C	H2
93 C6H7N	C2H2N	C2		CH
89 C7H5	CH4N2	CH2N	CHN	H3N	HN
79 C6H7	C2H2N2	C2N		CHN		N
77 C6H5	C2H4N2	C2H2N	C2HN	CH3N	CHN	H2N	C	H2

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