Ojima:KOX00859p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2(1H)-Quinolinone

IDs and Links
MassBank	2(1H)-Quinolinone
CAS	59-31-4
Keio ID	Q001+

Top 10 Similar Molecules of 2(1H)-Quinolinone

Ranking	About scoring
Q001+ Score:26.27 H139+ Score:20.04 G041+ Score:14.5 P057+ Score:11.92 I019+ Score:11.92 B007+ Score:11.92 K004+ Score:11.46 T003+ Score:11.46 I038+ Score:11.23 I030+ Score:11.23	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。

KOX00859p	146 C9H8NO	128 C9H6N	102 C7H4N	101 C8H5	91 C7H7	77 C6H5	51 C4H3
146 C9H8NO
128 C9H6N	H2O
102 C7H4N	C2H4O	C2H2
101 C8H5	CH3NO	CHN
91 C7H7	C2HNO
77 C6H5	C3H3NO	C3HN		C2	CH2
51 C4H3	C5H5NO	C5H3N	C3HN	C4H2	C3H4	C2H2

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