MassBank:KOX00095p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ne-Acetyllysine

IDs and Links
MassBank	Ne-Acetyllysine
CAS	692-04-6
Keio ID	A174+

Top 10 Similar Molecules of Ne-Acetyllysine

Ranking	About scoring
KOX00508p Score:15.87 KOX00393p Score:15.87 KOX00347p Score:15.87 KOX00069p Score:15.87 KOX00041p Score:15.87 KOX00295p Score:12.46 KOX00769p Score:10.61 KOX00687p Score:10.61 KOX00420p Score:10.61 KOX00343p Score:10.61	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
C8H17N2O3 (189)	C7H15N2O (143)	a
C8H17N2O3 (189)	C6H12NO2 (130)	h,-NH3
C7H12NO (126)	C5H10N (84)	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。

KOX00095p	189 C8H17N2O3	143 C7H15N2O	130 C6H12NO2	126 C7H12NO	84 C5H10N	67 C5H7	56 C3H6N
189 C8H17N2O3
143 C7H15N2O	CH2O2
130 C6H12NO2	C2H5NO
126 C7H12NO	CH5NO2	H3N
84 C5H10N	C3H7NO3	C2H5NO	CH2O2	C2H2O
67 C5H7	C3H10N2O3	C2H8N2O	CH5NO2	C2H5NO	H3N
56 C3H6N	C5H11NO3	C4H9NO	C3H6O2	C4H6O	C2H4

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