MassBank: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
KOX00238p Score:6.63 KOX00868p Score:4.15 KOX00852p Score:4.15 KOX00815p Score:4.15 KOX00794p Score:4.15 KOX00740p Score:4.15 KOX00739p Score:4.15 KOX00718p Score:4.15 KOX00683p Score:4.15 KOX00663p Score:4.15	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 C15H16N:   KOX00238p   Pages Related to Peak C3H6NO:   KOX00008p  KOX00010p  KOX00018p  KOX00083p  KOX00147p  KOX00167p  KOX00223p  KOX00225p  KOX00288p  KOX00292p  KOX00499p  KOX00641p  KOX00642p  KOX00654p  KOX00663p  KOX00683p  KOX00718p  KOX00739p  KOX00740p  KOX00794p  KOX00815p  KOX00852p  KOX00868p

Annotations

Precursor	Product	Comments
C29H34N2O2Cl (442)	C18H20NO (266)	b
C29H34N2O2Cl (442)	C16H16NO (238)	a
C29H34N2O2Cl (442)	C3H6NO (72)	c
C18H20NO (266)	C16H16NO (238)	IT

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	72 C3H6NO
442 C29H34N2O2Cl
266 C18H20NO	C11H14NO
238 C16H16NO	C13H18NO	C2H4
210 C15H16N	C14H18NO2	C3H4O	CO
72 C3H6NO	C26H28NO	C15H14	C13H10

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