Ojima:COX00028p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Diphenoxylate

IDs and Links
MassBank	Diphenoxylate
CAS
Keio ID

Top 10 Similar Molecules of Diphenoxylate

Ranking	About scoring
I025+ Score:13.27 P192+ Score:6.63 H024+ Score:5.25 T061+ Score:5.25 T024+ Score:5.25 M126+ Score:5.25 D036+ Score:5.25 I008+ Score:5.25 A189+ 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 C12H14NO2:   I025+   Pages Related to Peak C13H9:   P192+   Pages Related to Peak C11H12N:   I025+   Pages Related to Peak C3H7N:   A189+  I008+  D036+  M126+  T024+  T061+  H024+

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。

COX00028p	453 C30H33N2O2	425 C28H29N2O2	379 C27H27N2	204 C12H14NO2	165 C13H9	158 C11H12N	57 C3H7N
453 C30H33N2O2
425 C28H29N2O2	C2H4
379 C27H27N2	C3H6O2	CH2O2
204 C12H14NO2	C18H19N	C16H15N
165 C13H9	C17H24N2O2	C15H20N2O2	C14H18N2
158 C11H12N	C19H21NO2	C17H17NO2	C16H15N	CH2O2
57 C3H7N	C27H26NO2	C25H22NO2	C24H20N	C9H7O2		C8H5

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