Ojima:KNA00100p

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
C013+ Score:24.35 A155+ Score:10.67 O005+ Score:10.67 O003+ Score:10.67 A032+ Score:10.67 O009+ Score:6.63 T098+ Score:5.94 B026+ Score:5.94 A039+ Score:5.53 P105+ Score:5.13	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 C6H14N3O3:   C013+   Pages Related to Peak C6H11N2O3:   C013+   Pages Related to Peak C5H13N2O2:   A032+  A039+  O003+  O005+  A155+   Pages Related to Peak C5H12N3O:   O009+   Pages Related to Peak C5H11N2O:   A032+  C013+  D173+  G117+  O003+  O005+  P105+  A155+   Pages Related to Peak C5H9N2O:   C013+  B026+  T098+

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] KNA00100p	176 C6H14N3O3	159 C6H11N2O3	133 C5H13N2O2	130 C5H12N3O	115 C5H11N2O	113 C5H9N2O
176 C6H14N3O3
159 C6H11N2O3	H3N
133 C5H13N2O2	CHNO
130 C5H12N3O	CH2O2
115 C5H11N2O	CH3NO2	CO2	H2O	HN
113 C5H9N2O	CH5NO2	CH2O2	H4O	H3N	H2

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