MassBank:KOX00770p

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All Molecules KOX PR PBX COX

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a-Lipoamide

IDs and Links
MassBank	a-Lipoamide
CAS	940-69-2
Keio ID	L031+

Top 10 Similar Molecules of a-Lipoamide

Ranking	About scoring
KOX00645p Score:21.67 KOX00126p Score:16.65 KOX00485p Score:14.91 KOX00053p Score:14.91 KOX00875p Score:14.46 KOX00747p Score:14.46 KOX00649p Score:14.46 KOX00784p Score:13.36 KOX00043p Score:13.36 KOX00731p Score:12.72	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。

KOX00770p	206 C8H16NOS2	189 C8H13OS2	171 C8H11S2	161 C7H13S2	137 C8H9S	127 C7H11S	105 C3H5S2	101 C5H9S	93 C7H9	91 C7H7	79 C6H7	77 C6H5	67 C5H7	55 C4H7
206 C8H16NOS2
189 C8H13OS2	H3N
171 C8H11S2	H5NO	H2O
161 C7H13S2	CH3NO	CO
137 C8H9S	H7NOS	H4OS	H2S
127 C7H11S	CH5NOS	CH2OS	CS	H2S
105 C3H5S2	C5H11NO	C5H8O	C5H6	C4H8
101 C5H9S	C3H7NOS	C3H4OS	C3H2S	C2H4S	C3	C2H2
93 C7H9	CH7NOS2	CH4OS2	CH2S2	H4S2	CS	H2S
91 C7H7	CH9NOS2	CH6OS2	CH4S2	H6S2	CH2S	H4S			H2
79 C6H7	C2H9NOS2	C2H6OS2	C2H4S2	CH6S2	C2H2S	CH4S			CH2	C
77 C6H5	C2H11NOS2	C2H8OS2	C2H6S2	CH8S2	C2H4S	CH6S			CH4	CH2	H2
67 C5H7	C3H9NOS2	C3H6OS2	C3H4S2	C2H6S2	C3H2S	C2H4S		H2S	C2H2	C2	C
55 C4H7	C4H9NOS2	C4H6OS2	C4H4S2	C3H6S2	C4H2S	C3H4S		CH2S	C3H2	C3	C2		C

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