MassBank:KOX00393p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Lys

IDs and Links
MassBank	Lys
CAS	56-87-1
Keio ID	L004+

Top 10 Similar Molecules of Lys

Ranking	About scoring
KOX00069p Score:26.06 KOX00508p Score:19.15 KOX00347p Score:19.15 KOX00343p Score:17.86 KOX00095p Score:15.87 KOX00041p Score:15.87 KOX00769p Score:13.9 KOX00420p Score:13.9 KOX00687p Score:10.61 KOX00900p Score:10.42	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
C6H15N2O2 (147)	C6H12NO2 (130)	-NH3
C6H15N2O2 (147)	C2H4NO2 (74)	f
C6H15N2O2 (147)	C3H6N (56)	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。

KOX00393p	147 C6H15N2O2	130 C6H12NO2	84 C5H10N	74 C2H4NO2	67 C5H7	56 C3H6N	55 C4H7
147 C6H15N2O2
130 C6H12NO2	H3N
84 C5H10N	CH5NO2	CH2O2
74 C2H4NO2	C4H11N	C4H8
67 C5H7	CH8N2O2	CH5NO2	H3N
56 C3H6N	C3H9NO2	C3H6O2	C2H4
55 C4H7	C2H8N2O2	C2H5NO2	CH3N		C

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