Ojima:KOX00049n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Azelaate

IDs and Links
MassBank	Azelaate
CAS	123-99-9
Keio ID	A063-

Top 10 Similar Molecules of Azelaate

Ranking	About scoring
L057+ Score:5.94 L003+ Score:5.94 A053+ Score:5.94 Q001+ Score:5.25 B013+ Score:5.25 T002+ Score:5.25 P055+ Score:5.25 P033+ Score:5.25 H139+ Score:5.25 G062+ Score:5.25	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 C6H9O:   A053+  L003+  L057+   Pages Related to Peak C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   Pages Related to Peak C3H5O:   C119+  S049+  T010+  T020+  A046+  A143+  A194+  D183+  M025+  S044+  U006+  G030+

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。

KOX00049n	187 C9H15O4	143 C8H15O2	125 C8H13O	97 C6H9O	95 C6H7O	57 C3H5O
187 C9H15O4
143 C8H15O2	CO2
125 C8H13O	CH2O3	H2O
97 C6H9O	C3H6O3	C2H6O	C2H4
95 C6H7O	C3H8O3	C2H8O	C2H6	H2
57 C3H5O	C6H10O3	C5H10O	C5H8	C3H4	C3H2

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