Ojima:KOX00057n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adipate

IDs and Links
MassBank	Adipate
CAS	124-04-9
Keio ID	A076-

Top 10 Similar Molecules of Adipate

Ranking	About scoring
A189+ Score:11.07 A135+ Score:11.07 G051+ Score:9.57 G046+ Score:9.57 A143+ Score:9.57 M080+ Score:9.57 G020+ Score:9.57 U011+ Score:5.94 A155+ Score:5.13 O005+ Score:5.13	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 C6H9O4:   G020+  M080+  A143+  G046+  G051+   Pages Related to Peak C5H9O2:   A135+  A189+  N009+  O003+  V001+  A064+  O005+  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 C5H7O:   A135+  A189+  U011+

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。

KOX00057n	145 C6H9O4	101 C5H9O2	85 C4H5O2	83 C5H7O	59 C2H3O2	45 CHO2
145 C6H9O4
101 C5H9O2	CO2
85 C4H5O2	C2H4O2	CH4
83 C5H7O	CH2O3	H2O
59 C2H3O2	C4H6O2	C3H6	C2H2
45 CHO2	C5H8O2	C4H8	C3H4		CH2

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