MassBank:KOX00459p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

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
KOX00868p Score:8.64 KOX00687p Score:8.64 KOX00795p Score:4.49 KOX00794p Score:4.49 KOX00740p Score:4.49 KOX00739p Score:4.49 KOX00736p Score:4.49 KOX00676p Score:4.49 KOX00547p Score:4.49 KOX00440p Score:4.49	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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Annotations

Precursor	Product	Comments
C23H28N3O7 (458)	C23H25N2O7 (441)	a
C23H28N3O7 (458)	C16H18NO4 (288)	e
C23H25N2O7 (441)	C23H23N2O6 (423)	IT
C23H25N2O7 (441)	C7H8NO3 (154)	IT
C20H18NO5 (352)	C19H15NO5 (337)	IT

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。

KOX00459p	458 C23H28N3O7	441 C23H25N2O7	423 C23H23N2O6	395 C22H23N2O5	352 C20H18NO5	337 C19H15NO5	288 C16H18NO4	154 C7H8NO3	126 C5H4NO3	98 C5H8NO	84 C5H10N
458 C23H28N3O7
441 C23H25N2O7	H3N
423 C23H23N2O6	H5NO	H2O
395 C22H23N2O5	CH5NO2	CH2O2	CO
352 C20H18NO5	C3H10N2O2	C3H7NO2	C3H5NO	C2H5N
337 C19H15NO5	C4H13N2O2	C4H10NO2	C4H8NO	C3H8N	CH3
288 C16H18NO4	C7H10N2O3	C7H7NO3	C7H5NO2	C6H5NO	C4O
154 C7H8NO3	C16H20N2O4	C16H17NO4	C16H15NO3	C15H15NO2	C13H10O2	C12H7O2	C9H10O
126 C5H4NO3	C18H24N2O4	C18H21NO4	C18H19NO3	C17H19NO2	C15H14O2	C14H11O2	C11H14O	C2H4
98 C5H8NO	C18H20N2O6	C18H17NO6	C18H15NO5	C17H15NO4	C15H10O4	C14H7O4	C11H10O3	C2O2
84 C5H10N	C18H18N2O7	C18H15NO7	C18H13NO6	C17H13NO5	C15H8O5	C14H5O5	C11H8O4

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