Ojima:PR101031p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quercetin-3-Glucuronide

IDs and Links
MassBank	Quercetin-3-Glucuronide
CAS	22688-79-5
Keio ID

Top 10 Similar Molecules of Quercetin-3-Glucuronide

Ranking	About scoring
D083+ Score:9.99 G019+ Score:9.99 A059+ Score:9.99 P067+ Score:9.07 M110+ Score:5.03 A052+ Score:5.03 T014+ Score:5.03 D173+ Score:5.03 C015+ Score:5.03 A021+ 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。

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Page list for each fragment
Pages Related to Peak C5H5O3:   A059+  G019+  D083+   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+

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。

PR101031p	479 C21H19O13	303 C15H11O7	257 C14H9O5	229 C13H9O4	201 C12H9O3	165 C8H5O4	159 C6H7O5	153 C7H5O4	141 C6H5O4	137 C7H5O3	113 C5H5O3	85 C4H5O2	73 C3H5O2
479 C21H19O13
303 C15H11O7	C6H8O6
257 C14H9O5	C7H10O8	CH2O2
229 C13H9O4	C8H10O9	C2H2O3	CO
201 C12H9O3	C9H10O10	C3H2O4	C2O2	CO
165 C8H5O4	C13H14O9	C7H6O3	C6H4O	C5H4
159 C6H7O5	C15H12O8	C9H4O2	C8H2
153 C7H5O4	C14H14O9	C8H6O3	C7H4O	C6H4		C
141 C6H5O4	C15H14O9	C9H6O3	C8H4O	C7H4		C2	H2O	C
137 C7H5O3	C14H14O10	C8H6O4	C7H4O2	C6H4O	C5H4	CO		O
113 C5H5O3	C16H14O10	C10H6O4	C9H4O2	C8H4O	C7H4	C3O	CH2O2	C2O	CO	C2
85 C4H5O2	C17H14O11	C11H6O5	C10H4O3	C9H4O2	C8H4O	C4O2	C2H2O3	C3O2	C2O2	C3O	CO
73 C3H5O2	C18H14O11	C12H6O5	C11H4O3	C10H4O2	C9H4O	C5O2	C3H2O3	C4O2	C3O2	C4O	C2O	C

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