Ojima:COX00097p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thiethylperazine

IDs and Links
MassBank	Thiethylperazine
CAS
Keio ID

Top 10 Similar Molecules of Thiethylperazine

Ranking	About scoring
T122+ Score:22.33 A069+ Score:15.7 T021+ Score:9.75 R041+ Score:5.94 N044+ Score:3.8 T022+ Score:3.8 P105+ Score:3.8 P074+ Score:3.8 P054+ Score:3.8 P046+ Score:3.8	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 C8H17N2:   T122+   Pages Related to Peak C6H13N2:   A069+  T021+  T122+   Pages Related to Peak C5H10N2:   R041+  A069+  T122+   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+

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。

COX00097p	400 C22H30N3S2	272 C15H14NS2	239 C15H13NS	211 C13H9NS	141 C8H17N2	113 C6H13N2	98 C5H10N2	70 C4H8N
400 C22H30N3S2
272 C15H14NS2	C7H16N2
239 C15H13NS	C7H17N2S	HS
211 C13H9NS	C9H21N2S	C2H5S	C2H4
141 C8H17N2	C14H13NS2
113 C6H13N2	C16H17NS2				C2H4
98 C5H10N2	C17H20NS2				C3H7	CH3
70 C4H8N	C18H22N2S2	C11H6S2	C11H5S	C9HS	C4H9N	C2H5N	CH2N

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