Ojima:KOX00458n

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Minocycline

IDs and Links
MassBank	Minocycline
CAS	10118-90-8
Keio ID	M159-

Top 10 Similar Molecules of Minocycline

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。

KOX00458n	456 C23H26N3O7	439 C23H25N3O6	413 C22H25N2O6	394 C21H18N2O6	371 C20H23N2O5	286 C16H16NO4	180 C8H6NO4
456 C23H26N3O7
439 C23H25N3O6	HO
413 C22H25N2O6	CHNO	CN
394 C21H18N2O6	C2H8NO	C2H7N	CH7
371 C20H23N2O5	C3H3NO2	C3H2NO	C2H2O
286 C16H16NO4	C7H10N2O3	C7H9N2O2	C6H9NO2	C5H2NO2	C4H7NO
180 C8H6NO4	C15H20N2O3	C15H19N2O2	C14H19NO2	C13H12NO2	C12H17NO	C8H10

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