Ojima:KNA00513n

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
C012+ Score:11.89 T027+ Score:5.25 C028+ Score:5.25 H013+ Score:5.25 H002+ Score:5.25 G117+ Score:5.25 A073+ Score:5.25	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 C8H13N4O:   C012+   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+

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。

KNA00513n	225 C9H13N4O3	208 C9H10N3O3	207 C9H11N4O2	181 C8H13N4O	163 C8H11N4	154 C6H8N3O2	110 C5H8N3	88 H88
225 C9H13N4O3
208 C9H10N3O3	H3N
207 C9H11N4O2	H2O
181 C8H13N4O	CO2
163 C8H11N4	CH2O3		CO2	H2O
154 C6H8N3O2	C3H5NO	C3H2O	C3H3N
110 C5H8N3	C4H5NO3	C4H2O3	C4H3NO2	C3H5NO	C3H3N	CO2
88 H88

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