MassBank:KOX00729p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ethionine

IDs and Links
MassBank	Ethionine
CAS	13073-35-3
Keio ID	E056+

Top 10 Similar Molecules of Ethionine

Ranking	About scoring
KOX00702p Score:18.86 KOX00905p Score:14.89 KOX00281p Score:14.89 KOX00270p Score:14.89 KOX00259p Score:14.89 KOX00225p Score:14.89 KOX00022p Score:14.89 KOX00593p Score:14.78 KOX00454p Score:14.78 KOX00268p Score:14.78	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
C6H14NO2S (164)	C6H11O2S (147)	d
C6H14NO2S (164)	C5H12NS (118)	a
C6H14NO2S (164)	C4H8NO2 (102)	c
C6H14NO2S (164)	C2H4NO2 (74)	f

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。

KOX00729p	164 C6H14NO2S	147 C6H11O2S	119 C5H11OS	118 C5H12NS	105 C5H13S	102 C4H8NO2	85 C4H5O2	84 C4H6NO	75 C3H7S	74 C2H4NO2	56 C3H6N
164 C6H14NO2S
147 C6H11O2S	H3N
119 C5H11OS	CH3NO	CO
118 C5H12NS	CH2O2
105 C5H13S	CHNO2
102 C4H8NO2	C2H6S
85 C4H5O2	C2H9NS	C2H6S				H3N
84 C4H6NO	C2H8OS					H2O
75 C3H7S	C3H7NO2	C3H4O2	C2H4O	C2H5N	C2H6
74 C2H4NO2	C4H10S					C2H4
56 C3H6N	C3H8O2S			C2H6S		CH2O2		CO

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