Ojima:KNA00582n

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
X012+ Score:12.02 M043+ Score:6.23 M042+ Score:6.23 P157+ Score:5.38 G088+ Score:5.38 G015+ Score:5.38 D057+ Score:5.38 A071+ Score:5.38 M030+ Score:5.13 C028+ 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

Page list for each fragment
Pages Related to Peak C6H5N4O:   M042+  M043+   Pages Related to Peak C5H3N4O:   A071+  D057+  G015+  G088+  P157+  X012+   Pages Related to Peak C4H2N3O:   X012+   Pages Related to Peak C4H2N3:   A007+  H014+  M054+  M074+  M104+  Z002+  C028+  M030+

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。

KNA00582n	267 C10H11N4O5	249 C10H9N4O4	177 C7H5N4O2	149 C6H5N4O	135 C5H3N4O	108 C4H2N3O	92 C4H2N3
267 C10H11N4O5
249 C10H9N4O4	H2O
177 C7H5N4O2	C3H6O3	C3H4O2
149 C6H5N4O	C4H6O4	C4H4O3	CO
135 C5H3N4O	C5H8O4	C5H6O3	C2H2O	CH2
108 C4H2N3O	C6H9NO4	C6H7NO3	C3H3NO	C2H3N	CHN
92 C4H2N3	C6H9NO5	C6H7NO4	C3H3NO2	C2H3NO	CHNO	O

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