Ojima:PR100168p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-Methionine sulfone

IDs and Links
MassBank	L-Methionine sulfone
CAS	7314-32-1
Keio ID

Top 10 Similar Molecules of L-Methionine sulfone

Ranking	About scoring
M022+ Score:2.97 A204+ Score:2.97 D030+ Score:2.97 T122+ Score:2.97 T098+ Score:2.97 T061+ Score:2.97 T027+ Score:2.97 T024+ Score:2.97 T022+ Score:2.97 P192+ Score:2.97	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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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。

PR100168p	182 C5H12NO4S	136 C4H10NO2S	56 C3H6N
182 C5H12NO4S
136 C4H10NO2S	CH2O2
56 C3H6N	C2H6O4S	CH4O2S

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