MassBank:KOX00090p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylleucine

IDs and Links
MassBank	N-Acetylleucine
CAS	1188-21-2
Keio ID	A145+

Top 10 Similar Molecules of N-Acetylleucine

Ranking	About scoring
KOX00233p Score:14.57 KOX00773p Score:13.59 KOX00469p Score:13.59 KOX00391p Score:13.59 KOX00364p Score:13.59 KOX00295p Score:13.59 KOX00043p Score:13.59 KOX00396p Score:10.83 KOX00822p Score:8.34 KOX00685p Score:8.34	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。

Links

Page list for each fragment

Pages Related to Peak C8H14NO2:   KOX00233p  KOX00865p   Pages Related to Peak C6H14NO2:   KOX00043p  KOX00295p  KOX00364p  KOX00391p  KOX00469p  KOX00773p  KOX00874p   Pages Related to Peak C7H14NO:   KOX00396p   Pages Related to Peak C5H12N:   KOX00043p  KOX00122p  KOX00233p  KOX00295p  KOX00364p  KOX00391p  KOX00396p  KOX00398p  KOX00469p  KOX00499p  KOX00539p  KOX00616p  KOX00644p  KOX00679p  KOX00685p  KOX00688p  KOX00741p  KOX00771p  KOX00773p  KOX00822p  KOX00838p  KOX00856p   Pages Related to Peak C5H9:   KOX00043p  KOX00083p  KOX00233p  KOX00251p  KOX00254p  KOX00295p  KOX00364p  KOX00391p  KOX00469p  KOX00518p  KOX00558p  KOX00616p  KOX00645p  KOX00682p  KOX00685p  KOX00719p  KOX00762p  KOX00773p  KOX00822p  KOX00857p  KOX00858p  KOX00889p  KOX00903p

Annotations

Precursor	Product	Comments
C8H16NO3 (174)	C8H14NO2 (156)	-H2O
C8H16NO3 (174)	C6H14NO2 (132)	a
C8H16NO3 (174)	C7H14NO (128)	b

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。

KOX00090p	174 C8H16NO3	156 C8H14NO2	132 C6H14NO2	128 C7H14NO	86 C5H12N	69 C5H9
174 C8H16NO3
156 C8H14NO2	H2O
132 C6H14NO2	C2H2O	C2
128 C7H14NO	CH2O2	CO
86 C5H12N	C3H4O3	C3H2O2	CH2O2	C2H2O
69 C5H9	C3H7NO3	C3H5NO2	CH5NO2	C2H5NO	H3N

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