MassBank:KOX00801p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Muscimol

IDs and Links
MassBank	Muscimol
CAS	2763-96-4
Keio ID	M115+

Top 10 Similar Molecules of Muscimol

Ranking	About scoring
KOX00724p Score:9.51 KOX00499p Score:6.23 KOX00834p Score:5.53 KOX00737p Score:5.53 KOX00504p Score:5.53 KOX00279p Score:5.53 KOX00251p Score:5.53 KOX00900p Score:3.28 KOX00894p Score:3.28 KOX00861p Score:3.28	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。

KOX00801p	115 C4H7N2O2	98 C4H4NO2	86 C3H4NO2	68 C4H4O	67 C4H3O	55 C4H7
115 C4H7N2O2
98 C4H4NO2	H3N
86 C3H4NO2	CH3N	C
68 C4H4O	H3N2O	NO
67 C4H3O	H4N2O	HNO		H
55 C4H7	N2O2

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