Ojima:KO008950p

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
E015+ Score:52 A104+ Score:6.23 S040+ Score:5.94 A145+ 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

Page list for each fragment
Pages Related to Peak C15H28N5O5:   E015+   Pages Related to Peak C15H25N4O5:   E015+   Pages Related to Peak C14H28N5O4:   E015+   Pages Related to Peak C14H23N2O5:   E015+   Pages Related to Peak C11H26N5O:   E015+   Pages Related to Peak C9H14NO4:   E015+   Pages Related to Peak C8H14NO2:   A145+  E015+  S040+   Pages Related to Peak C5H12N3:   E015+  A104+

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。

KO008950p	358 C15H28N5O5	341 C15H25N4O5	330 C14H28N5O4	299 C14H23N2O5	298 C14H24N3O4	244 C11H26N5O	200 C9H14NO4	156 C8H14NO2	114 C5H12N3
358 C15H28N5O5
341 C15H25N4O5	H3N
330 C14H28N5O4	CO
299 C14H23N2O5	CH5N3	CH2N2
298 C14H24N3O4	CH4N2O	CHNO	H4N2
244 C11H26N5O	C4H2O4		C3H2O3
200 C9H14NO4	C6H14N4O	C6H11N3O	C5H14N4	C5H9NO	C5H10N2
156 C8H14NO2	C7H14N4O3	C7H11N3O3	C6H14N4O2	C6H9NO3	C6H10N2O2		CO2
114 C5H12N3	C10H16N2O5	C10H13NO5	C9H16N2O4		C9H12O4	C6H14N2O

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