Ojima:PR100343p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Ideain

IDs and Links
MassBank	Ideain
CAS	142506-26-1
Keio ID

Top 10 Similar Molecules of Ideain

Ranking	About scoring
P192+ Score:6.64 N028+ Score:5.94 F008+ Score:5.94 A191+ Score:5.94	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 C11H9O:   P192+   Pages Related to Peak C6H5O2:   A191+  F008+  N028+

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。

PR100343p	449 C21H21O11	287 C15H11O6	241 C14H9O4	213 C13H9O3	185 C12H9O2	157 C11H9O	137 C7H5O3	109 C6H5O2
449 C21H21O11
287 C15H11O6	C6H10O5
241 C14H9O4	C7H12O7	CH2O2
213 C13H9O3	C8H12O8	C2H2O3	CO
185 C12H9O2	C9H12O9	C3H2O4	C2O2	CO
157 C11H9O	C10H12O10	C4H2O5	C3O3	C2O2	CO
137 C7H5O3	C14H16O8	C8H6O3	C7H4O	C6H4
109 C6H5O2	C15H16O9	C9H6O4	C8H4O2	C7H4O	C6H4		CO

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

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