Ojima:PR100708n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-Gluconic acid

IDs and Links
MassBank	D-Gluconic acid
CAS	526-95-4
Keio ID

Top 10 Similar Molecules of D-Gluconic acid

Ranking	About scoring
D083+ Score:9.98 A059+ Score:9.98 F025+ Score:6.64 E015+ Score:5.94 A204+ Score:4.03 M082+ Score:4.03 M081+ Score:4.03 M011+ Score:4.03 G051+ Score:4.03 G046+ 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+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00274

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。

PR100708n	195 C6H11O7	177 C6H9O6	129 C5H5O4	99 C4H3O3	87 C3H3O3	85 C4H5O2	75 C2H3O3	71 C3H3O2	59 C2H3O2
195 C6H11O7
177 C6H9O6	H2O
129 C5H5O4	CH6O3	CH4O2
99 C4H3O3	C2H8O4	C2H6O3	CH2O
87 C3H3O3	C3H8O4	C3H6O3	C2H2O	C
85 C4H5O2	C2H6O5	C2H4O4	CO2
75 C2H3O3	C4H8O4	C4H6O3	C3H2O	C2	C
71 C3H3O2	C3H8O5	C3H6O4	C2H2O2	CO	O	CH2
59 C2H3O2	C4H8O5	C4H6O4	C3H2O2	C2O	CO	C2H2	O	C

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