Ojima:KNA00621n

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
A133+ Score:11.67 M029+ Score:5.72 I014+ Score:5.72 T015+ Score:5.72 T014+ Score:5.72 P157+ Score:5.03 M042+ Score:5.03 H014+ Score:5.03 G088+ Score:5.03 G015+ Score:5.03	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 C9H10N3O4:   A133+   Pages Related to Peak C4H4N3O:   A071+  A133+  A136+  D057+  G015+  G088+  H014+  M042+  P157+   Pages Related to Peak C5H5N2O:   T014+  T015+  I014+  M029+

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。

./lua: /tmp/mw_ex_lua_BFaZAa:33: attempt to compare number with nil Illegal ion order (check mass!): H126 < C4H4N3O

KNA00621n	242 C9H12N3O5	224 C9H10N3O4	199 C8H11N2O4	182 C8H8NO4	152 C6H6N3O2	12 H126	110 C4H4N3O	109 C5H5N2O	91 H91
242 C9H12N3O5
224 C9H10N3O4	H2O
199 C8H11N2O4	CHNO
182 C8H8NO4	CH4N2O	CH2N2	H3N
152 C6H6N3O2	C3H6O3	C3H4O2
12 H126 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)