Ojima:KO009303p

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

Ranking	About scoring
T098+ Score:26.55	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 C13H25N4O3S:   T098+   Pages Related to Peak C9H17N4O3S:   T098+   Pages Related to Peak C9H14N3O3S:   T098+   Pages Related to Peak C6H10N3O2S:   T098+

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。

./lua: /tmp/mw_ex_lua_FeKLu7:33: attempt to compare number with nil

KO009303p	317 C13H25N4O3S	261 C9H17N4O3S	244 C9H14N3O3S	188 C6H10N3O2S	13 H130
317 C13H25N4O3S
261 C9H17N4O3S	C4H8
244 C9H14N3O3S	C4H11N	H3N
188 C6H10N3O2S	C7H15NO	C3H7NO	C3H4O
13 H130 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)