MassBank:KOX00799p

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Ion Frequency

Prec.-Product

Neutral Loss

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N6-Methyl-2-deoxyadenosine

IDs and Links
MassBank	N6-Methyl-2-deoxyadenosine
CAS	2002-35-9
Keio ID	M110+

Top 10 Similar Molecules of N6-Methyl-2-deoxyadenosine

Ranking	About scoring
KOX00780p Score:49.47 KOX00443p Score:48.01 KOX00588p Score:25.07 KOX00787p Score:24.13 KOX00004p Score:22.46 KOX00420p Score:21.05 KOX00451p Score:20.58 KOX00711p Score:20.09 KOX00633p Score:20.09 KOX00111p Score:19.34	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
C11H16N5O3 (266)	C6H8N5 (150)	b
C11H16N5O3 (266)	C5H7N4 (123)	b,-HCN
C11H16N5O3 (266)	C5H9O3 (117)	a
C6H8N5 (150)	C5H7N4 (123)	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。

KOX00799p	266 C11H16N5O3	150 C6H8N5	133 C6H5N4	123 C5H7N4	119 C5H3N4	117 C5H9O3	109 C4H5N4	108 C4H4N4	99 C5H7O2	94 C4H4N3	73 C3H5O2	69 C4H5O	67 C3H3N2	57 C2H5N2	55 C4H7	55 C2H3N2	54 C3H4N	52 C3H2N
266 C11H16N5O3
150 C6H8N5	C5H8O3
133 C6H5N4	C5H11NO3	H3N
123 C5H7N4	C6H9NO3	CHN
119 C5H3N4	C6H13NO3	CH5N	CH2	H4
117 C5H9O3	C6H7N5
109 C4H5N4	C7H11NO3	C2H3N	C2	CH2
108 C4H4N4	C7H12NO3	C2H4N	C2H	CH3			H
99 C5H7O2	C6H9N5O					H2O
94 C4H4N3	C7H12N2O3	C2H4N2	C2HN	CH3N			HN	N
73 C3H5O2	C8H11N5O					C2H4O			C2H2
69 C4H5O	C7H11N5O2					CH4O2			CH2O
67 C3H3N2	C8H13N3O3	C3H5N3	C3H2N2	C2H4N2	C2N2		CH2N2	CHN2		CHN
57 C2H5N2	C9H11N3O3	C4H3N3	C4N2	C3H2N2			C2N2
55 C4H7	C7H9N5O3	C2HN5		CN4		CH2O3			CO2
55 C2H3N2	C9H13N3O3	C4H5N3	C4H2N2	C3H4N2	C3N2		C2H2N2	C2HN2		C2HN			C	H2
54 C3H4N	C8H12N4O3	C3H4N4	C3HN3	C2H3N3			CHN3	CN3		CN2
52 C3H2N	C8H14N4O3	C3H6N4	C3H3N3	C2H5N3	C2HN3		CH3N3	CH2N3		CH2N2			HN				H2

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