MassBank:KOX00653p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Agmatine

IDs and Links
MassBank	Agmatine
CAS	306-60-5
Keio ID	A104+

Top 10 Similar Molecules of Agmatine

Ranking	About scoring
KOX00233p Score:23.7 KOX00676p Score:17.06 KOX00478p Score:17.06 KOX00848p Score:13.16 KOX00029p Score:8.66 KOX00648p Score:8.6 KOX00024p Score:8.6 KOX00781p Score:8.45 KOX00737p Score:8.45 KOX00666p Score:8.45	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
C5H15N4 (131)	C5H12N3 (114)	-NH3
C5H15N4 (131)	C4H10N (72)	b,-NH3
C5H15N4 (131)	CH6N3 (60)	c

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。

KOX00653p	131 C5H15N4	114 C5H12N3	97 C5H9N2	72 C4H10N	60 CH6N3	55 C2H3N2
131 C5H15N4
114 C5H12N3	H3N
97 C5H9N2	H6N2	H3N
72 C4H10N	CH5N3	CH2N2
60 CH6N3	C4H9N	C4H6
55 C2H3N2	C3H12N2	C3H9N	C3H6

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