Ojima:COX00099p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thiothixene

IDs and Links
MassBank	Thiothixene
CAS
Keio ID

Top 10 Similar Molecules of Thiothixene

Ranking	About scoring
T122+ Score:9.75 A069+ Score:9.75 R041+ Score:5.94 N044+ Score:3.8 T022+ Score:3.8 T021+ 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 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。

COX00099p	444 C23H30N3O2S2	429 C22H27N3O2S2	344 C18H18NO2S2	335 C21H23N2S	304 C15H14NO2S2	221 C15H9S	197 C13H9S	139 C8H15N2	98 C5H10N2	70 C4H8N
444 C23H30N3O2S2
429 C22H27N3O2S2	CH3
344 C18H18NO2S2	C5H12N2	C4H9N2
335 C21H23N2S	C2H7NO2S	CH4NO2S
304 C15H14NO2S2	C8H16N2	C7H13N2	C3H4
221 C15H9S	C8H21N3O2S	C7H18N3O2S	C3H9NO2S	C6H14N2	H5NO2S
197 C13H9S	C10H21N3O2S	C9H18N3O2S	C5H9NO2S	C8H14N2	C2H5NO2S	C2
139 C8H15N2	C15H15NO2S2	C14H12NO2S2		C13H8S
98 C5H10N2	C18H20NO2S2	C17H17NO2S2		C16H13S				C3H5
70 C4H8N	C19H22N2O2S2	C18H19N2O2S2	C14H10O2S2	C17H15NS	C11H6O2S2			C4H7N	CH2N

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