Ojima:KOX00400n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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S-Lactoylglutathione

IDs and Links
MassBank	S-Lactoylglutathione
CAS	25138-66-3
Keio ID	L016-

Top 10 Similar Molecules of S-Lactoylglutathione

Ranking	About scoring
	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。

KOX00400n	378 C13H20N3O8S	306 C10H16N3O6S	272 C10H14N3O6	254 C10H12N3O5
378 C13H20N3O8S
306 C10H16N3O6S	C3H4O2
272 C10H14N3O6	C3H6O2S	H2S
254 C10H12N3O5	C3H8O3S	H4OS	H2O

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