Ojima:PBX00055p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Resveratrol

IDs and Links
MassBank	Resveratrol
CAS
Keio ID

Top 10 Similar Molecules of Resveratrol

Ranking	About scoring
E033+ Score:22.78 T032+ Score:17.65 S058+ Score:17.65 D185+ Score:17.65 T002+ Score:17.65 D046+ Score:17.65 P070+ Score:17.25 A137+ Score:17.25 N028+ Score:14.95 V021+ Score:13.98	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 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。

PBX00055p	229 C14H13O3	211 C14H11O2	183 C13H11O	165 C13H9	153 C12H9	135 C8H7O2	119 C8H7O	107 C7H7O	91 C7H7	77 C6H5	65 C5H5
229 C14H13O3
211 C14H11O2	H2O
183 C13H11O	CH2O2	CO
165 C13H9	CH4O3	CH2O2	H2O
153 C12H9	C2H4O3	C2H2O2	CH2O	C
135 C8H7O2	C6H6O	C6H4
119 C8H7O	C6H6O2	C6H4O	C5H4			O
107 C7H7O	C7H6O2	C7H4O	C6H4			CO	C
91 C7H7	C7H6O3	C7H4O2	C6H4O	C6H2	C5H2	CO2	CO	O
77 C6H5	C8H8O3	C8H6O2	C7H6O	C7H4	C6H4	C2H2O2	C2H2O	CH2O	CH2
65 C5H5	C9H8O3	C9H6O2	C8H6O	C8H4	C7H4	C3H2O2	C3H2O	C2H2O	C2H2	C

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

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