Ojima:KOX00796p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Methotrimeprazine

IDs and Links
MassBank	Methotrimeprazine
CAS	60-99-1
Keio ID	M099+

Top 10 Similar Molecules of Methotrimeprazine

Ranking	About scoring
M099+ Score:48.43 M142+ Score:5.94 I025+ Score:5.94 P190+ Score:5.72 C114+ Score:5.72 A196+ Score:5.72 H024+ Score:3.57 V021+ Score:3.57 T051+ Score:3.57 T024+ Score:3.57	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 C19H25N2OS:   M099+   Pages Related to Peak C19H22NOS:   M099+   Pages Related to Peak C18H18NOS:   M099+   Pages Related to Peak C17H18NOS:   M099+   Pages Related to Peak C14H12NO:   M099+   Pages Related to Peak C12H9N:   I025+  M099+  M142+   Pages Related to Peak C6H14N:   A196+  C114+  M099+  P190+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+

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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。

KOX00796p	329 C19H25N2OS	312 C19H22NOS	296 C18H18NOS	284 C17H18NOS	210 C14H12NO	208 C14H8S	199 C12H9NS	186 C11H8NS	167 C12H9N	100 C6H14N	58 C3H8N
329 C19H25N2OS
312 C19H22NOS	H3N
296 C18H18NOS	CH7N	CH4
284 C17H18NOS	C2H7N	C2H4	C
210 C14H12NO	C5H13NS	C5H10S	C4H6S	C3H6S
208 C14H8S	C5H17N2O	C5H14NO	C4H10NO	C3H10NO
199 C12H9NS	C7H16NO	C7H13O	C6H9O	C5H9O
186 C11H8NS	C8H17NO	C8H14O	C7H10O	C6H10O			CH
167 C12H9N	C7H16NOS	C7H13OS	C6H9OS	C5H9OS	C2H3O		S
100 C6H14N	C13H11NOS	C13H8OS	C12H4OS	C11H4OS
58 C3H8N	C16H17NOS	C16H14OS	C15H10OS	C14H10OS	C11H4O		C9HS	C8S	C9H	C3H6

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