MassBank:KOX00577p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sulfathiazole

IDs and Links
MassBank	Sulfathiazole
CAS	72-14-0
Keio ID	S079+

Top 10 Similar Molecules of Sulfathiazole

Ranking	About scoring
KOX00863p Score:22.53 KOX00107p Score:22.53 KOX00853p Score:10.58 KOX00840p Score:10.58 KOX00823p Score:10.58 KOX00788p Score:10.58 KOX00647p Score:10.58 KOX00302p Score:10.58 KOX00231p Score:10.58 KOX00131p Score:10.58	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
C9H10N3O2S2 (256)	C9H8N3S (190)	x
C9H10N3O2S2 (256)	C6H6NO2S (156)	b
C9H10N3O2S2 (256)	C6H6NO (108)	x
C9H10N3O2S2 (256)	C3H5N2S (101)	c
C9H10N3O2S2 (256)	C6H6N (92)	a
C9H10N3O2S2 (256)	C5H6N (80)	d
C6H6NO2S (156)	C6H6NO (108)	IT
C6H6NO2S (156)	C6H6N (92)	IT
C6H6NO (108)	C5H6N (80)	IT
C6H6N (92)	C5H5 (65)	IT

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。

KOX00577p	256 C9H10N3O2S2	190 C9H8N3S	156 C6H6NO2S	108 C6H6NO	101 C3H5N2S	92 C6H6N	80 C5H6N	65 C5H5
256 C9H10N3O2S2
190 C9H8N3S	H2O2S
156 C6H6NO2S	C3H4N2S
108 C6H6NO	C3H4N2OS2		OS
101 C3H5N2S	C6H5NO2S	C6H3N
92 C6H6N	C3H4N2O2S2	C3H2N2S	O2S	O
80 C5H6N	C4H4N2O2S2	C4H2N2S	CO2S	CO		C
65 C5H5	C4H5N3O2S2	C4H3N3S	CHNO2S	CHNO		CHN	HN

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