Ojima:KOX00772p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Loperamide

IDs and Links
MassBank	Loperamide
CAS	53179-11-6
Keio ID	L047+

Top 10 Similar Molecules of Loperamide

Ranking	About scoring
L047+ Score:30.26 P192+ Score:6.63 M156+ Score:6.23 M089+ Score:6.23 E034+ Score:6.23 S044+ Score:4.11 P177+ Score:4.11 N063+ Score:4.11 M081+ Score:4.11 G051+ Score:4.11	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 C29H34N2O2Cl:   L047+   Pages Related to Peak C18H20NO:   L047+   Pages Related to Peak C16H16NO:   L047+   Pages Related to Peak C15H16N:   E034+  L047+   Pages Related to Peak C14H12N:   M089+  M156+   Pages Related to Peak C13H9:   P192+   Pages Related to Peak C3H6NO:   A011+  A015+  A021+  A138+  C034+  C094+  D173+  E005+  G061+  G065+  P032+  A051+  A052+  A111+  A197+  C008+  D122+  G046+  G051+  L047+  M081+  N063+  P177+  S044+

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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。

KOX00772p	442 C29H34N2O2Cl	266 C18H20NO	238 C16H16NO	210 C15H16N	194 C14H12N	193 C15H13	167 C13H11	165 C13H9	72 C3H6NO
442 C29H34N2O2Cl
266 C18H20NO	C11H14NO
238 C16H16NO	C13H18NO	C2H4
210 C15H16N	C14H18NO2	C3H4O	CO
194 C14H12N	C15H22NO2	C4H8O	C2H4O	CH4
193 C15H13	C14H21N2O2	C3H7NO	CH3NO	H3N
167 C13H11	C16H23N2O2	C5H9NO	C3H5NO	C2H5N	CHN	C2H2
165 C13H9	C16H25N2O2	C5H11NO	C3H7NO	C2H7N	CH3N	C2H4	H2
72 C3H6NO	C26H28NO	C15H14	C13H10

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