MassBank:KOX00869p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sulindac

IDs and Links
MassBank	Sulindac
CAS	38194-50-2
Keio ID	S054+

Top 10 Similar Molecules of Sulindac

Ranking	About scoring
	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
C20H18FO3S (357)	C19H15FO3S (342)	c,rad.
C20H18FO3S (357)	C20H17FO2S (340)	d,rad.
C20H18FO3S (357)	C19H16FO2 (295)	b
C20H17FO2S (340)	C19H16FO2* (295)	ITinc

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。

KOX00869p	357 C20H18FO3S	342 C19H15FO3S	340 C20H17FO2S	295 C19H16FO2	280 C18H13FS	233 C17H10F
357 C20H18FO3S
342 C19H15FO3S	CH3
340 C20H17FO2S	HO
295 C19H16FO2	CH2OS		CHS
280 C18H13FS	C2H5O3	CH2O3	C2H4O2
233 C17H10F	C3H8O3S	C2H5O3S	C3H7O2S	C2H6O2	CH3S

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