Ojima:PR100363p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Poncirin

IDs and Links
MassBank	Poncirin
CAS	14941-08-3
Keio ID

Top 10 Similar Molecules of Poncirin

Ranking	About scoring
M011+ Score:9.57 S049+ Score:9.57 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94 A155+ Score:5.54 A064+ Score:5.54 F034+ Score:5.54 A204+ Score:4.03 M082+ 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 C6H9O3:   F034+  S049+  A064+  M011+  A155+   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 C4H7O:   F008+  A224+  B090+

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。

PR100363p	595 C28H35O14	449 C22H25O10	287 C16H15O5	161 C10H9O2	153 C7H5O4	129 C6H9O3	85 C4H5O2	71 C4H7O
595 C28H35O14
449 C22H25O10	C6H10O4
287 C16H15O5	C12H20O9	C6H10O5
161 C10H9O2	C18H26O12	C12H16O8	C6H6O3
153 C7H5O4	C21H30O10	C15H20O6	C9H10O
129 C6H9O3	C22H26O11	C16H16O7	C10H6O2
85 C4H5O2	C24H30O12	C18H20O8	C12H10O3	C6H4	C3O2	C2H4O
71 C4H7O	C24H28O13	C18H18O9	C12H8O4	C6H2O		C2H2O2

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