MassBank:KOX00443p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Methyladenine

IDs and Links
MassBank	1-Methyladenine
CAS	5142-22-3
Keio ID	M074+

Top 10 Similar Molecules of 1-Methyladenine

Ranking	About scoring
KOX00780p Score:63.8 KOX00799p Score:48.01 KOX00451p Score:32.47 KOX00787p Score:29.52 KOX00111p Score:29.26 KOX00315p Score:27.44 KOX00004p Score:23.88 KOX00633p Score:22.05 KOX00429p Score:21.79 KOX00420p Score:21.45	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
C6H8N5 (150)	C6H5N4 (133)	-NH3
C6H8N5 (150)	C5H3N4 (119)	a
C6H8N5 (150)	C5H4N3 (106)	d

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。

KOX00443p	150 C6H8N5	133 C6H5N4	119 C5H3N4	109 C4H5N4	108 C4H4N4	106 C5H4N3	94 C4H4N3	92 C4H2N3	82 C3H4N3	81 C4H5N2	79 C4H3N2	67 C3H3N2	55 C2H3N2	54 C3H4N	54 C2H2N2	52 C3H2N
150 C6H8N5
133 C6H5N4	H3N
119 C5H3N4	CH5N	CH2
109 C4H5N4	C2H3N	C2
108 C4H4N4	C2H4N	C2H		H
106 C5H4N3	CH4N2	CHN
94 C4H4N3	C2H4N2	C2HN		HN	N	C
92 C4H2N3	C2H6N2	C2H3N	CHN	H3N	H2N	CH2	H2
82 C3H4N3	C3H4N2	C3HN		CHN	CN	C2	C
81 C4H5N2	C2H3N3	C2N2		N2
79 C4H3N2	C2H5N3	C2H2N2	CN2	H2N2	HN2	CHN	HN			H2
67 C3H3N2	C3H5N3	C3H2N2	C2N2	CH2N2	CHN2	C2HN	CHN		HN	CH2	C
55 C2H3N2	C4H5N3	C4H2N2	C3N2	C2H2N2	C2HN2	C3HN	C2HN		CHN	C2H2	C2	C
54 C3H4N	C3H4N4	C3HN3		CHN3	CN3	C2N2	CN2		N2	CHN
54 C2H2N2	C4H6N3	C4H3N2	C3HN2	C2H3N2	C2H2N2	C3H2N	C2H2N	C2N	CH2N	C2H3	C2H	CH	H
52 C3H2N	C3H6N4	C3H3N3	C2HN3	CH3N3	CH2N3	C2H2N2	CH2N2	CN2	H2N2	CH3N	CHN	HN		H2

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