MassBank:KOX00122p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Bestatin

IDs and Links
MassBank	Bestatin
CAS	58970-76-6
Keio ID	B018+

Top 10 Similar Molecules of Bestatin

Ranking	About scoring
KOX00807p Score:25.87 KOX00485p Score:20 KOX00053p Score:20 KOX00872p Score:14.98 KOX00747p Score:14.98 KOX00649p Score:14.98 KOX00879p Score:14.39 KOX00797p Score:14.39 KOX00604p Score:14.39 KOX00424p Score:14.39	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
C16H25N2O4 (309)	C15H23N2O2 (263)	a
C16H25N2O4 (309)	C8H16NO4 (190)	g
C16H25N2O4 (309)	C9H12NO (150)	h
C16H25N2O4 (309)	C8H10N (120)	c
C16H25N2O4 (309)	C7H9 (93)	d
C16H25N2O4 (309)	C7H7 (91)	d
C16H25N2O4 (309)	C6H5 (77)	e
C7H14NO2 (144)	C5H12N (86)	IT
C8H10N (120)	C8H7 (103)	IT
C8H10N (120)	C7H9 (93)	IT
C8H10N (120)	C7H7 (91)	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。

KOX00122p	309 C16H25N2O4	263 C15H23N2O2	228 C15H18NO	190 C8H16NO4	172 C8H14NO3	150 C9H12NO	144 C7H14NO2	133 C9H9O	120 C8H10N	115 C9H7	103 C8H7	93 C7H9	91 C7H7	86 C5H12N	77 C6H5	74 C3H8NO	74 C2H4NO2	59 C3H7O
309 C16H25N2O4
263 C15H23N2O2	CH2O2
228 C15H18NO	CH7NO3	H5NO
190 C8H16NO4	C8H9N
172 C8H14NO3	C8H11NO			H2O
150 C9H12NO	C7H13NO3	C6H11NO	C6H6
144 C7H14NO2	C9H11NO2	C8H9N		CH2O2	CO
133 C9H9O	C7H16N2O3	C6H14N2O	C6H9N			H3N
120 C8H10N	C8H15NO4	C7H13NO2	C7H8O	H6O4	H4O3	CH2O
115 C9H7	C7H18N2O4	C6H16N2O2	C6H11NO			H5NO		H2O
103 C8H7	C8H18N2O4	C7H16N2O2	C7H11NO	H9NO4	H7NO3	CH5NO		CH2O	H3N	C
93 C7H9	C9H16N2O4	C8H14N2O2	C8H9NO	CH7NO4	CH5NO3	C2H3NO	H5NO2	C2O	CHN
91 C7H7	C9H18N2O4	C8H16N2O2	C8H11NO	CH9NO4	CH7NO3	C2H5NO	H7NO2	C2H2O	CH3N	C2	C	H2
86 C5H12N	C11H13NO4	C10H11NO2	C10H6O	C3H4O4	C3H2O3	C4O	C2H2O2
77 C6H5	C10H20N2O4	C9H18N2O2	C9H13NO	C2H11NO4	C2H9NO3	C3H7NO	CH9NO2	C3H4O	C2H5N	C3H2	C2H2	CH4	CH2
74 C3H8NO	C13H17NO3	C12H15NO	C12H10	C5H8O3	C5H6O2	C6H4	C4H6O
74 C2H4NO2	C14H21NO2	C13H19N		C6H12O2	C6H10O		C5H10
59 C3H7O	C13H18N2O3	C12H16N2O	C12H11N	C5H9NO3	C5H7NO2	C6H5N	C4H7NO	C6H2								HN

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