MassBank:KOX00800p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Metyrapone

IDs and Links
MassBank	Metyrapone
CAS	54-36-4
Keio ID	M111+

Top 10 Similar Molecules of Metyrapone

Ranking	About scoring
KOX00811p Score:23.89 KOX00647p Score:23.89 KOX00657p Score:20.69 KOX00788p Score:20.31 KOX00912p Score:18.86 KOX00809p Score:18.86 KOX00510p Score:18.86 KOX00491p Score:18.86 KOX00840p Score:18.82 KOX00857p Score:15.77	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
C14H15N2O (227)	C8H11N (121)	a,rad.
C14H15N2O (227)	C8H10N (120)	a
C14H15N2O (227)	C5H5N (79)	d,rad.[e,rad.]
C14H15N2O (227)	C5H4N (78)	d[e]
C8H11N (121)	C7H8N (106)	IT
C8H11N (121)	C5H5N (79)	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。

KOX00800p	227 C14H15N2O	183 C12H11N2	121 C8H11N	120 C8H10N	106 C7H8N	104 C7H6N	96 C5H6NO	94 C6H8N	93 C6H7N	79 C5H5N	78 C5H4N
227 C14H15N2O
183 C12H11N2	C2H4O
121 C8H11N	C6H4NO	C4N
120 C8H10N	C6H5NO	C4HN	H
106 C7H8N	C7H7NO	C5H3N	CH3	CH2
104 C7H6N	C7H9NO	C5H5N	CH5	CH4	H2
96 C5H6NO	C9H9N
94 C6H8N	C8H7NO	C6H3N	C2H3	C2H2	C
93 C6H7N	C8H8NO	C6H4N	C2H4	C2H3	CH			H
79 C5H5N	C9H10NO	C7H6N	C3H6	C3H5	C2H3	C2H	HO	CH3	CH2
78 C5H4N	C9H11NO	C7H7N	C3H7	C3H6	C2H4	C2H2	H2O	CH4	CH3	H

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