MassBank:KOX00725p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Epinine

IDs and Links
MassBank	Epinine
CAS	501-15-5
Keio ID	E013+

Top 10 Similar Molecules of Epinine

Ranking	About scoring
KOX00722p Score:25.12 KOX00514p Score:23.78 KOX00870p Score:22.46 KOX00189p Score:22.23 KOX00807p Score:21.76 KOX00645p Score:21.36 KOX00236p Score:20.44 KOX00880p Score:19.18 KOX00814p Score:18.48 KOX00859p Score:16.51	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
C9H14NO2 (168)	C8H9O2 (137)	a
C8H9O2 (137)	C8H7O (119)	IT
C8H9O2 (137)	C7H9O (109)	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。

KOX00725p	168 C9H14NO2	137 C8H9O2	119 C8H7O	109 C7H9O	91 C7H7	81 C6H9	79 C6H7	77 C6H5	65 C5H5	51 C4H3
168 C9H14NO2
137 C8H9O2	CH5N
119 C8H7O	CH7NO	H2O
109 C7H9O	C2H5NO	CO
91 C7H7	C2H7NO2	CH2O2	CO	H2O
81 C6H9	C3H5NO2	C2O2		CO
79 C6H7	C3H7NO2	C2H2O2	C2O	CH2O	C	H2
77 C6H5	C3H9NO2	C2H4O2	C2H2O	CH4O	CH2	H4	H2
65 C5H5	C4H9NO2	C3H4O2	C3H2O	C2H4O	C2H2	CH4	CH2	C
51 C4H3	C5H11NO2	C4H6O2	C4H4O	C3H6O	C3H4	C2H6	C2H4	C2H2	CH2

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