Ojima:PR100491n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adenine

IDs and Links
MassBank	Adenine
CAS	73-24-5
Keio ID

Top 10 Similar Molecules of Adenine

Ranking	About scoring
M032+ Score:5.94 B010+ Score:5.94 A203+ Score:5.94 M030+ Score:5.13 C028+ Score:5.13 Z002+ Score:5.13 M104+ Score:5.13 M074+ Score:5.13 M054+ Score:5.13 H014+ 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 C4H2N3:   A007+  H014+  M054+  M074+  M104+  Z002+  C028+  M030+   Pages Related to Peak C2H2N3:   A203+  B010+  M032+

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。

PR100491n	134 C5H4N5	107 C4H3N4	106 C4H2N4	92 C4H2N3	68 C2H2N3
134 C5H4N5
107 C4H3N4	CHN
106 C4H2N4	CH2N	H
92 C4H2N3	CH2N2	HN	N
68 C2H2N3	C3H2N2	C2HN	C2N	C2

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