Ojima:KNA00548n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px

IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
F025+ Score:6.64 A204+ Score:4.03 M082+ Score:4.03 M081+ Score:4.03 M011+ Score:4.03 G051+ Score:4.03 G046+ Score:4.03 E056+ Score:4.03 D083+ Score:4.03 D038+ Score:4.03	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 C4H3O3:   F025+   Pages Related to Peak C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+

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。

KNA00548n	195 C6H11O7	177 C6H9O6	159 C6H7O5	129 C5H5O4	111 C5H3O3	99 C4H3O3	87 C3H3O3	85 C4H5O2	75 C2H3O3
195 C6H11O7
177 C6H9O6	H2O
159 C6H7O5	H4O2	H2O
129 C5H5O4	CH6O3	CH4O2	CH2O
111 C5H3O3	CH8O4	CH6O3	CH4O2	H2O
99 C4H3O3	C2H8O4	C2H6O3	C2H4O2	CH2O	C
87 C3H3O3	C3H8O4	C3H6O3	C3H4O2	C2H2O	C2	C
85 C4H5O2	C2H6O5	C2H4O4	C2H2O3	CO2
75 C2H3O3	C4H8O4	C4H6O3	C4H4O2	C3H2O	C3	C2	C

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

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