Ojima:KOX00257n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glucuronate

IDs and Links
MassBank	Glucuronate
CAS	6556-12-3
Keio ID	G004-

Top 10 Similar Molecules of Glucuronate

Ranking	About scoring
D083+ Score:27.42 A059+ Score:27.42 D173+ Score:16.44 G019+ Score:15.93 E015+ Score:12.18 A052+ Score:9.79 C015+ Score:9.79 A204+ Score:9.57 C041+ Score:9.57 A007+ Score:9.57	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。

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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 C4H7O3:   A007+  A059+  C041+  D083+  A204+   Pages Related to Peak C4H5O3:   D173+   Pages Related to Peak C3H5O3:   E015+  P028+   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+   Pages Related to Peak C3H3O:   A110+  A138+  C015+  C127+  D173+  G015+  G062+  I025+  O008+  P092+  A052+  M169+

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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。

KOX00257n	193 C6H9O7	149 C5H9O5	133 C4H5O5	131 C5H7O4	113 C5H5O3	103 C4H7O3	101 C4H5O3	89 C3H5O3	85 C4H5O2	73 C3H5O2	71 C3H3O2	59 C2H3O2	55 C3H3O	45 CHO2
193 C6H9O7
149 C5H9O5	CO2
133 C4H5O5	C2H4O2	CH4
131 C5H7O4	CH2O3	H2O
113 C5H5O3	CH4O4	H4O2		H2O
103 C4H7O3	C2H2O4	CH2O2		CO
101 C4H5O3	C2H4O4	CH4O2	O2	CH2O	C	H2
89 C3H5O3	C3H4O4	C2H4O2	CO2	C2H2O	C2	CH2	C
85 C4H5O2	C2H4O5	CH4O3	O3	CH2O2	CO	H2O	O
73 C3H5O2	C3H4O5	C2H4O3	CO3	C2H2O2	C2O	CH2O	CO	O	C
71 C3H3O2	C3H6O5	C2H6O3	CH2O3	C2H4O2	C2H2O	CH4O	CH2O	H2O	CH2	H2
59 C2H3O2	C4H6O5	C3H6O3	C2H2O3	C3H4O2	C3H2O	C2H4O	C2H2O	CH2O	C2H2	CH2	C
55 C3H3O	C3H6O6	C2H6O4	CH2O4	C2H4O3	C2H2O2	CH4O2	CH2O2	H2O2	CH2O	H2O	O
45 CHO2	C5H8O5	C4H8O3	C3H4O3	C4H6O2	C4H4O	C3H6O	C3H4O	C2H4O	C3H4	C2H4	C2H2	CH2

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