MassBank:KOX00817p

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Ion Frequency

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Neutral Loss

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Nalidixate

IDs and Links
MassBank	Nalidixate
CAS	389-08-2
Keio ID	N067+

Top 10 Similar Molecules of Nalidixate

Ranking	About scoring
KOX00877p Score:19.14 KOX00912p Score:14.04 KOX00811p Score:14.04 KOX00491p Score:14.04 KOX00422p Score:14.04 KOX00713p Score:12.5 KOX00860p Score:10.18 KOX00840p Score:10.18 KOX00832p Score:10.18 KOX00809p Score:10.18	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
C12H13N2O3 (233)	C12H11N2O2 (215)	a

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。

KOX00817p	233 C12H13N2O3	215 C12H11N2O2	187 C10H7N2O2	159 C9H7N2O	143 C9H7N2	131 C8H7N2	104 C7H6N	78 C5H4N	77 C6H5	53 C4H5
233 C12H13N2O3
215 C12H11N2O2	H2O
187 C10H7N2O2	C2H6O	C2H4
159 C9H7N2O	C3H6O2	C3H4O	CO
143 C9H7N2	C3H6O3	C3H4O2	CO2	O
131 C8H7N2	C4H6O3	C4H4O2	C2O2	CO	C
104 C7H6N	C5H7NO3	C5H5NO2	C3HNO2	C2HNO	C2HN	CHN
78 C5H4N	C7H9NO3	C7H7NO2	C5H3NO2	C4H3NO	C4H3N	C3H3N	C2H2
77 C6H5	C6H8N2O3	C6H6N2O2	C4H2N2O2	C3H2N2O	C3H2N2	C2H2N2	CHN
53 C4H5	C8H8N2O3	C8H6N2O2	C6H2N2O2	C5H2N2O	C5H2N2	C4H2N2	C3HN		C2

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