Ojima:KOX00513n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Phenylephrine

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

Top 10 Similar Molecules of Phenylephrine

Ranking	About scoring
E033+ Score:11.26 I050+ Score:6.63 G062+ Score:6.23 A018+ Score:6.23 B026+ Score:5.94 B009+ Score:5.94 X004+ Score:5.94 B011+ Score:5.72 P002+ Score:5.72 A067+ Score:5.72	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。

Links

Page list for each fragment
Pages Related to Peak C9H12NO2:   A067+  E033+  P002+  B011+   Pages Related to Peak C8H8O2:   I050+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+

Annotations

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。

KOX00513n	166 C9H12NO2	136 C8H8O2	123 C7H7O2	122 C7H6O2	121 C7H5O2	105 C7H5O	93 C6H5O	92 C6H4O
166 C9H12NO2
136 C8H8O2	CH4N
123 C7H7O2	C2H5N	CH
122 C7H6O2	C2H6N	CH2	H
121 C7H5O2	C2H7N	CH3	H2	H
105 C7H5O	C2H7NO	CH3O	H2O	HO	O
93 C6H5O	C3H7NO	C2H3O	CH2O	CHO	CO	C
92 C6H4O	C3H8NO	C2H4O	CH3O	CH2O	CHO	CH	H

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

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