Ojima:COX00098p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thioridazine

IDs and Links
MassBank	Thioridazine
CAS
Keio ID

Top 10 Similar Molecules of Thioridazine

Ranking	About scoring
B040+ Score:12.51 O009+ Score:8.94 T024+ Score:8.7 P192+ Score:8.7 I063+ Score:8.7 D075+ Score:8.7 P074+ Score:7.37 A112+ Score:7.37 A069+ Score:7.37 I008+ Score:7.37	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 C6H12N:   O009+  B040+  D075+  I063+  O016+  P192+  T024+  T061+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+   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+

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。

COX00098p	371 C21H27N2S2	258 C14H12NS2	226 C14H12NS	211 C13H9NS	126 C8H16N	98 C6H12N	70 C4H8N	58 C3H8N
371 C21H27N2S2
258 C14H12NS2	C7H15N
226 C14H12NS	C7H15NS	S
211 C13H9NS	C8H18NS	CH3S	CH3
126 C8H16N	C13H11NS2
98 C6H12N	C15H15NS2	C8S2	C8S		C2H4
70 C4H8N	C17H19NS2	C10H4S2	C10H4S	C9HS	C4H8	C2H4
58 C3H8N	C18H19NS2	C11H4S2	C11H4S	C10HS	C5H8	C3H4	C

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