Ojima:KO009263p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
T122+ Score:39.13 T021+ Score:5.94 A069+ Score:5.94	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

[show] Page list for each fragment
Pages Related to Peak C21H25F3N3S:   T122+   Pages Related to Peak C21H23FN3S:   T122+   Pages Related to Peak C16H13F3NS:   T122+   Pages Related to Peak C14H9F3NS:   T122+   Pages Related to Peak C8H17N2:   T122+   Pages Related to Peak C6H13N2:   A069+  T021+  T122+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] KO009263p	408 C21H25F3N3S	368 C21H23FN3S	348 C21H22N3S	308 C16H13F3NS	280 C14H9F3NS	141 C8H17N2	113 C6H13N2
408 C21H25F3N3S
368 C21H23FN3S	H2F2
348 C21H22N3S	H3F3	HF
308 C16H13F3NS	C5H12N2
280 C14H9F3NS	C7H16N2			C2H4
141 C8H17N2	C13H8F3NS	C13H6FNS	C13H5NS
113 C6H13N2	C15H12F3NS	C15H10FNS	C15H9NS			C2H4

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