MassBank:KOX00236p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Epinephrine

IDs and Links
MassBank	Epinephrine
CAS	51-43-4
Keio ID	E033+

Top 10 Similar Molecules of Epinephrine

Ranking	About scoring
KOX00485p Score:30.46 KOX00580p Score:30.24 KOX00811p Score:29 KOX00814p Score:27.84 KOX00713p Score:27.49 KOX00808p Score:26.55 KOX00882p Score:24.77 KOX00053p Score:24.52 KOX00870p Score:24.51 KOX00912p Score:23.97	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。

Links

Annotations

Precursor	Product	Comments
C9H14NO3 (184)	C9H12NO2 (166)	-H2O

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。

KOX00236p	184 C9H14NO3	166 C9H12NO2	151 C8H9NO2	148 C9H10NO	135 C8H7O2	123 C7H7O2	120 C8H10N	119 C8H7O	118 C8H8N	107 C7H7O	104 C7H6N	94 C6H8N	91 C7H7	89 C7H5	79 C6H7	77 C6H5	65 C5H5	56 C3H6N	51 C4H3
184 C9H14NO3
166 C9H12NO2	H2O
151 C8H9NO2	CH5O	CH3
148 C9H10NO	H4O2	H2O
135 C8H7O2	CH7NO	CH5N	H2N
123 C7H7O2	C2H7NO	C2H5N	CH2N		C
120 C8H10N	CH4O3	CH2O2		CO
119 C8H7O	CH7NO2	CH5NO	H2NO	CH3N	O
118 C8H8N	CH6O3	CH4O2	HO2	CH2O			H2
107 C7H7O	C2H7NO2	C2H5NO	CH2NO	C2H3N	CO	O		C
104 C7H6N	C2H8O3	C2H6O2	CH3O2	C2H4O			CH4		CH2
94 C6H8N	C3H6O3	C3H4O2	C2HO2	C3H2O			C2H2		C2
91 C7H7	C2H7NO3	C2H5NO2	CH2NO2	C2H3NO	CO2	O2	CH3N	CO	CHN	O
89 C7H5	C2H9NO3	C2H7NO2	CH4NO2	C2H5NO	CH2O2	H2O2	CH5N	CH2O	CH3N	H2O	HN		H2
79 C6H7	C3H7NO3	C3H5NO2	C2H2NO2	C3H3NO	C2O2	CO2	C2H3N	C2O	C2HN	CO		HN	C
77 C6H5	C3H9NO3	C3H7NO2	C2H4NO2	C3H5NO	C2H2O2	CH2O2	C2H5N	C2H2O	C2H3N	CH2O	CHN	H3N	CH2	C	H2
65 C5H5	C4H9NO3	C4H7NO2	C3H4NO2	C4H5NO	C3H2O2	C2H2O2	C3H5N	C3H2O	C3H3N	C2H2O	C2HN	CH3N	C2H2	C2	CH2	C
56 C3H6N	C6H8O3	C6H6O2	C5H3O2	C6H4O			C5H4		C5H2		C4	C3H2
51 C4H3	C5H11NO3	C5H9NO2	C4H6NO2	C5H7NO	C4H4O2	C3H4O2	C4H7N	C4H4O	C4H5N	C3H4O	C3H3N	C2H5N	C3H4	C3H2	C2H4	C2H2	CH2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)