Ojima:KOX00638p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Aminoindole

IDs and Links
MassBank	5-Aminoindole
CAS	5192-03-0
Keio ID	A036+

Top 10 Similar Molecules of 5-Aminoindole

Ranking	About scoring
A036+ Score:29.08 A035+ Score:22.24 N044+ Score:17.64 M127+ Score:15.49 E012+ Score:15.49 T031+ Score:13.84 S041+ Score:13.84 N016+ Score:13.84 M101+ Score:13.84 D180+ Score:13.84	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。

KOX00638p	133 C8H9N2	116 C8H6N	106 C7H8N	89 C7H5	77 C6H5	70 C4H8N	51 C4H3
133 C8H9N2
116 C8H6N	H3N
106 C7H8N	CHN
89 C7H5	CH4N2	CHN	H3N
77 C6H5	C2H4N2	C2HN	CH3N	C
70 C4H8N	C4HN		C3
51 C4H3	C4H6N2	C4H3N	C3H5N	C3H2	C2H2	H5N

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