MassBank:KOX00514p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Phenylephrine

IDs and Links
MassBank	Phenylephrine
CAS	59-42-7
Keio ID	P059+

Top 10 Similar Molecules of Phenylephrine

Ranking	About scoring
KOX00870p Score:37.61 KOX00807p Score:27.71 KOX00725p Score:23.78 KOX00236p Score:22.88 KOX00385p Score:20.87 KOX00580p Score:19.89 KOX00722p Score:19.12 KOX00814p Score:18.88 KOX00808p Score:16.94 KOX00880p Score:16.84	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
C9H14NO2 (168)	C9H12NO (150)	-H2O
C9H14NO2 (168)	C6H6O (94)	b,rad.

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。

KOX00514p	168 C9H14NO2	150 C9H12NO	135 C8H9NO	118 C8H8N	109 C7H9O	107 C7H7O	94 C6H6O	91 C7H7	77 C6H5	65 C5H5	56 C3H6N	51 C4H3
168 C9H14NO2
150 C9H12NO	H2O
135 C8H9NO	CH5O	CH3
118 C8H8N	CH6O2	CH4O	HO
109 C7H9O	C2H5NO	C2H3N	CN
107 C7H7O	C2H7NO	C2H5N	CH2N		H2
94 C6H6O	C3H8NO	C3H6N	C2H3N		CH3	CH
91 C7H7	C2H7NO2	C2H5NO	CH2NO	CHN	H2O	O
77 C6H5	C3H9NO2	C3H7NO	C2H4NO	C2H3N	CH4O	CH2O	HO	CH2
65 C5H5	C4H9NO2	C4H7NO	C3H4NO	C3H3N	C2H4O	C2H2O	CHO	C2H2	C
56 C3H6N	C6H8O2	C6H6O	C5H3O	C5H2
51 C4H3	C5H11NO2	C5H9NO	C4H6NO	C4H5N	C3H6O	C3H4O	C2H3O	C3H4	C2H2	CH2

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

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