MassBank:KOX00752p

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Ion Frequency

Prec.-Product

Neutral Loss

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Eflornithine

IDs and Links
MassBank	Eflornithine
CAS	67037-37-0
Keio ID	H097+

Top 10 Similar Molecules of Eflornithine

Ranking	About scoring
KOX00736p Score:14.85 KOX00788p Score:13.11 KOX00912p Score:11.56 KOX00676p Score:10.98 KOX00508p Score:9.92 KOX00911p Score:9.24 KOX00343p Score:8.67 KOX00863p Score:7.72 KOX00853p Score:7.72 KOX00825p Score:7.72	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
C6H13F2N2O2 (183)	C6H10F2NO2 (166)	-NH3
C6H13F2N2O2 (183)	C6H11F2N2O (165)	d
C6H13F2N2O2 (183)	CHF2 (51)	e
C6H10F2NO2 (166)	C5H8F2N (120)	IT
C5H8F2N (120)	C5H7FN (100)	IT
C5H8F2N (120)	C4H8N (70)	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。

KOX00752p	183 C6H13F2N2O2	166 C6H10F2NO2	165 C6H11F2N2O	120 C5H8F2N	105 C4H6FO2	100 C5H7FN	80 C5H6N	78 C2H2F2N	73 C4H6F	70 C4H8N	69 C4H7N	67 C4H5N	55 C4H7	53 C4H5	51 CHF2
183 C6H13F2N2O2
166 C6H10F2NO2	H3N
165 C6H11F2N2O	H2O
120 C5H8F2N	CH5NO2	CH2O2	CH3NO
105 C4H6FO2	C2H7FN2	C2H4FN
100 C5H7FN	CH6FNO2	CH3FO2	CH4FNO	HF
80 C5H6N	CH7F2NO2	CH4F2O2	CH5F2NO	H2F2		HF
78 C2H2F2N	C4H11NO2	C4H8O2	C4H9NO	C3H6
73 C4H6F	C2H7FN2O2	C2H4FNO2	C2H5FN2O	CH2FN	O2	CHN
70 C4H8N	C2H5F2NO2	C2H2F2O2	C2H3F2NO	CF2
69 C4H7N	C2H6F2NO2	C2H3F2O2	C2H4F2NO	CHF2		CF				H
67 C4H5N	C2H8F2NO2	C2H5F2O2	C2H6F2NO	CH3F2		CH2F	CH			H3	H2
55 C4H7	C2H6F2N2O2	C2H3F2NO2	C2H4F2N2O	CHF2N		CFN				HN	N
53 C4H5	C2H8F2N2O2	C2H5F2NO2	C2H6F2N2O	CH3F2N	HFO2	CH2FN	CHN		HF	H3N	H2N	N	H2
51 CHF2	C5H12N2O2	C5H9NO2	C5H10N2O	C4H7N				CHN

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