Ojima:KOX00208n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Digalacturonate

IDs and Links
MassBank	Digalacturonate
CAS	5894-59-7
Keio ID	D100-

Top 10 Similar Molecules of Digalacturonate

Ranking	About scoring
D083+ Score:21.88 A059+ Score:21.88 G019+ Score:15.93 D173+ Score:11.67 P067+ Score:9.07 E015+ Score:5.94 M110+ Score:5.03 A052+ Score:5.03 T014+ Score:5.03 C015+ Score:5.03	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 C5H7O4:   A059+  G019+  D083+   Pages Related to Peak C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C4H5O3:   D173+   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 C3H5O2:   A011+  A015+  A021+  C015+  D173+  P067+  T014+  A052+  M110+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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。

KOX00208n	369 C12H17O13	309 C10H13O11	235 C8H11O8	193 C6H9O7	175 C6H7O6	131 C5H7O4	115 C4H3O4	113 C5H5O3	103 C3H3O4	101 C4H5O3	85 C4H5O2	73 C3H5O2	71 C3H3O2	59 C2H3O2
369 C12H17O13
309 C10H13O11	C2H4O2
235 C8H11O8	C4H6O5	C2H2O3
193 C6H9O7	C6H8O6	C4H4O4	C2H2O
175 C6H7O6	C6H10O7	C4H6O5	C2H4O2	H2O
131 C5H7O4	C7H10O9	C5H6O7	C3H4O4	CH2O3	CO2
115 C4H3O4	C8H14O9	C6H10O7	C4H8O4	C2H6O3	C2H4O2	CH4
113 C5H5O3	C7H12O10	C5H8O8	C3H6O5	CH4O4	CH2O3	H2O
103 C3H3O4	C9H14O9	C7H10O7	C5H8O4	C3H6O3	C3H4O2	C2H4	C
101 C4H5O3	C8H12O10	C6H8O8	C4H6O5	C2H4O4	C2H2O3	CH2O		C
85 C4H5O2	C8H12O11	C6H8O9	C4H6O6	C2H4O5	C2H2O4	CH2O2		CO		O
73 C3H5O2	C9H12O11	C7H8O9	C5H6O6	C3H4O5	C3H2O4	C2H2O2		C2O		CO	C
71 C3H3O2	C9H14O11	C7H10O9	C5H8O6	C3H6O5	C3H4O4	C2H4O2	CO2	C2H2O	O2	CH2O	CH2	H2
59 C2H3O2	C10H14O11	C8H10O9	C6H8O6	C4H6O5	C4H4O4	C3H4O2	C2O2	C3H2O	CO2	C2H2O	C2H2	CH2	C

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