MassBank:KOX00859p

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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
KOX00359p Score:32.38 KOX00580p Score:25.56 KOX00809p Score:22.95 KOX00674p Score:20.94 KOX00870p Score:20.18 KOX00236p Score:20.18 KOX00832p Score:19.74 KOX00766p Score:18.22 KOX00880p Score:17.13 KOX00725p Score:16.51	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	119 C8H7O	118 C8H8N	101 C8H5	95 C6H7O	91 C7H7	78 C5H4N	77 C6H5	65 C5H5	52 C3H2N	51 C4H3
146 C9H8NO
128 C9H6N	H2O
119 C8H7O	CHN
118 C8H8N	CO
101 C8H5	CH3NO	CHN	H2O	H3N
95 C6H7O	C3HN		C2
91 C7H7	C2HNO		CO	CHN
78 C5H4N	C4H4O	C4H2		C3H4
77 C6H5	C3H3NO	C3HN	C2H2O	C2H3N	C2	H2O	CH2
65 C5H5	C4H3NO	C4HN	C3H2O	C3H3N	C3	CH2O	C2H2		C
52 C3H2N	C6H6O	C6H4		C5H6				C2H2
51 C4H3	C5H5NO	C5H3N	C4H4O	C4H5N	C4H2	C2H4O	C3H4	CHN	C2H2	CH2

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