Ojima:KNA00517n

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
H015+ Score:6.64 T015+ Score:6.23 T014+ Score:6.23	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 C6H6NO3:   H015+   Pages Related to Peak C5H4NO2:   T014+  T015+

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。

KNA00517n	243 C9H11N2O6	200 C8H10NO5	153 C6H5N2O3	152 C7H6NO3	140 C6H6NO3	111 C4H3N2O2	110 C5H4NO2
243 C9H11N2O6
200 C8H10NO5	CHNO
153 C6H5N2O3	C3H6O3
152 C7H6NO3	C2H5NO3	CH4O2
140 C6H6NO3	C3H5NO3	C2H4O2		C
111 C4H3N2O2	C5H8O4		C2H2O
110 C5H4NO2	C4H7NO4	C3H6O3	CHNO	C2H2O	CH2O

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