MassBank:KOX00787p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Methyladenosine

IDs and Links
MassBank	1-Methyladenosine
CAS	15763-06-1
Keio ID	M051+

Top 10 Similar Molecules of 1-Methyladenosine

Ranking	About scoring
KOX00443p Score:29.52 KOX00780p Score:24.75 KOX00799p Score:24.13 KOX00004p Score:20.46 KOX00315p Score:18.08 KOX00420p Score:13.65 KOX00711p Score:12.69 KOX00633p Score:12.69 KOX00451p Score:12.69 KOX00174p Score:9.97	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
C11H16N5O4 (282)	C11H13N4O4 (265)	-NH3
C11H16N5O4 (282)	C6H8N5 (150)	a
C11H16N5O4 (282)	C5H9O4 (133)	d
C11H16N5O4 (282)	C5H3N4 (119)	a+e

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。

KOX00787p	282 C11H16N5O4	265 C11H13N4O4	150 C6H8N5	133 C5H9O4	119 C5H3N4	109 C4H5N4	94 C4H4N3	82 C3H4N3	55 C2H3N2
282 C11H16N5O4
265 C11H13N4O4	H3N
150 C6H8N5	C5H8O4
133 C5H9O4	C6H7N5	C6H4N4
119 C5H3N4	C6H13NO4	C6H10O4	CH5N
109 C4H5N4	C7H11NO4	C7H8O4	C2H3N
94 C4H4N3	C7H12N2O4	C7H9NO4	C2H4N2			HN
82 C3H4N3	C8H12N2O4	C8H9NO4	C3H4N2			CHN	C
55 C2H3N2	C9H13N3O4	C9H10N2O4	C4H5N3		C3N2	C2H2N2	C2HN	CHN

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