MassBank:KOX00731p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Fenfluramine

IDs and Links
MassBank	Fenfluramine
CAS	458-24-2
Keio ID	F016+

Top 10 Similar Molecules of Fenfluramine

Ranking	About scoring
KOX00784p Score:15.37 KOX00808p Score:14.28 KOX00558p Score:14.08 KOX00770p Score:12.72 KOX00645p Score:12.72 KOX00126p Score:12.72 KOX00710p Score:12.71 KOX00807p Score:10.79 KOX00703p Score:10.79 KOX00875p Score:9.43	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
C12H17F3N (232)	C10H10F3 (187)	d
C12H17F3N (232)	C8H6F3 (159)	a
C10H10F3 (187)	C8H6F3 (159)	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。

KOX00731p	232 C12H17F3N	187 C10H10F3	159 C8H6F3	151 C7H10F3	109 C7H6F	105 C8H9	95 C7H11	91 C7H7	77 C6H5	67 C5H7	55 C4H7
232 C12H17F3N
187 C10H10F3	C2H7N
159 C8H6F3	C4H11N	C2H4
151 C7H10F3	C5H7N	C3
109 C7H6F	C5H11F2N	C3H4F2	CF2	H4F2
105 C8H9	C4H8F3N	C2HF3
95 C7H11	C5H6F3N
91 C7H7	C5H10F3N	C3H3F3		H3F3		CH2	H4
77 C6H5	C6H12F3N	C4H5F3	C2HF3	CH5F3	CHF	C2H4	CH6	CH2
67 C5H7	C7H10F3N	C5H3F3		C2H3F3		C3H2	C2H4	C2
55 C4H7	C8H10F3N	C6H3F3		C3H3F3		C4H2	C3H4	C3		C

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