Ojima:COX00020p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Buspirone

IDs and Links
MassBank	Buspirone
CAS
Keio ID

Top 10 Similar Molecules of Buspirone

Ranking	About scoring
N028+ Score:5.72 E013+ Score:5.72 D185+ Score:5.72 P059+ Score:5.72 T057+ Score:5.54 T056+ Score:5.54 M035+ Score:5.54 C077+ Score:5.54 C012+ Score:5.54	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 C6H8N3:   C012+  C077+  M035+  T056+  T057+   Pages Related to Peak C7H9O:   P059+  D185+  E013+  N028+

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。

COX00020p	386 C21H32N5O2	265 C15H25N2O2	222 C13H20NO2	148 C8H10N3	122 C6H8N3	109 C7H9O
386 C21H32N5O2
265 C15H25N2O2	C6H7N3
222 C13H20NO2	C8H12N4	C2H5N
148 C8H10N3	C13H22N2O2
122 C6H8N3	C15H24N2O2			C2H2
109 C7H9O	C14H23N5O	C8H16N2O	C6H11NO

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