MassBank:KOX00865p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Scopolamine

IDs and Links
MassBank	Scopolamine
CAS	51-34-3
Keio ID	S040+

Top 10 Similar Molecules of Scopolamine

Ranking	About scoring
KOX00649p Score:20.36 KOX00872p Score:19.02 KOX00747p Score:14.64 KOX00122p Score:13.3 KOX00811p Score:11.16 KOX00875p Score:10.64 KOX00830p Score:10.64 KOX00828p Score:10.59 KOX00807p Score:10.59 KOX00720p Score:10.59	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
C17H22NO4 (304)	C16H20NO3 (274)	f
C17H22NO4 (304)	C8H14NO2 (156)	b
C17H22NO4 (304)	C8H12NO (138)	c
C17H22NO4 (304)	C8H9O (121)	a
C17H22NO4 (304)	C6H7 (79)	e
C17H22NO4 (304)	C6H5 (77)	e
C8H14NO2 (156)	C8H12NO (138)	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。

KOX00865p	304 C17H22NO4	274 C16H20NO3	228 C15H18NO	156 C8H14NO2	138 C8H12NO	121 C8H9O	110 C7H12N	103 C8H7	82 C5H8N	79 C6H7	77 C6H5	67 C5H7
304 C17H22NO4
274 C16H20NO3	CH2O
228 C15H18NO	C2H4O3	CH2O2
156 C8H14NO2	C9H8O2	C8H6O
138 C8H12NO	C9H10O3	C8H8O2	C7H6	H2O
121 C8H9O	C9H13NO3	C8H11NO2	C7H9N	H5NO	H3N
110 C7H12N	C10H10O4	C9H8O3	C8H6O	CH2O2	CO
103 C8H7	C9H15NO4	C8H13NO3	C7H11NO	H7NO2	H5NO	H2O
82 C5H8N	C12H14O4	C11H12O3	C10H10O	C3H6O2	C3H4O		C2H4
79 C6H7	C11H15NO4	C10H13NO3	C9H11NO	C2H7NO2	C2H5NO	C2H2O	CH5N	C2
77 C6H5	C11H17NO4	C10H15NO3	C9H13NO	C2H9NO2	C2H7NO	C2H4O	CH7N	C2H2		H2
67 C5H7	C12H15NO4	C11H13NO3	C10H11NO	C3H7NO2	C3H5NO	C3H2O	C2H5N	C3	HN	C

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