Ojima:KNA00231p

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

[show] Ranking	About scoring
C047+ Score:6.23 A059+ Score:6.23 D082+ Score:5.13 D069+ Score:5.13 D067+ Score:5.13 A020+ Score:5.13 Z002+ Score:5.13 F014+ Score:5.13 A037+ Score:5.13 A007+ 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。

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[show] Page list for each fragment
Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+   Pages Related to Peak C4H8NO2S:   A059+  C047+

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Precursor-Product Relationship

[show] 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。

[hide] KNA00231p	385 C14H21N6O5S	250 C9H16NO5S	232 C9H14NO4S	136 C5H6N5	134 C4H8NO2S
385 C14H21N6O5S
250 C9H16NO5S	C5H5N5
232 C9H14NO4S	C5H7N5O	H2O
136 C5H6N5	C9H15NO5S
134 C4H8NO2S	C10H13N5O3	C5H8O3	C5H6O2

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