Ojima:PR100380p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

3-Hydroxy-3-methylglutarate

IDs and Links
MassBank	3-Hydroxy-3-methylglutarate
CAS	503-49-1
Keio ID

Top 10 Similar Molecules of 3-Hydroxy-3-methylglutarate

Ranking	About scoring
A007+ Score:11.26 G051+ Score:11.07 D083+ Score:11.07 M080+ Score:11.07 M110+ Score:6.23 T014+ Score:6.23 U006+ Score:5.72 M051+ Score:5.72 C119+ Score:5.72 A204+ Score:5.53	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 C6H11O5:   M080+  D083+  G046+  G051+  M081+   Pages Related to Peak C5H9O4:   A007+  C119+  M051+  U006+   Pages Related to Peak C6H7O3:   F008+  G020+  M080+  T065+  G051+   Pages Related to Peak C4H7O3:   A007+  A059+  C041+  D083+  A204+   Pages Related to Peak C5H7O2:   T014+  M110+

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。

PR100380p	163 C6H11O5	149 C5H9O5	133 C5H9O4	127 C6H7O3	103 C4H7O3	99 C5H7O2
163 C6H11O5
149 C5H9O5	CH2
133 C5H9O4	CH2O	O
127 C6H7O3	H4O2
103 C4H7O3	C2H4O2	CH2O2	CH2O	C2
99 C5H7O2	CH4O3	H2O3	H2O2	CO

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

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