MassBank:KOX00652p

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Ion Frequency

Prec.-Product

Neutral Loss

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Arginine ethyl ester

IDs and Links
MassBank	Arginine ethyl ester
CAS
Keio ID	A103+

Top 10 Similar Molecules of Arginine ethyl ester

Ranking	About scoring
KOX00848p Score:14.62 KOX00478p Score:14.62 KOX00676p Score:14.33 KOX00029p Score:8.39 KOX00111p Score:6.63 KOX00659p Score:5.94 KOX00122p Score:5.94 KOX00881p Score:4.55 KOX00781p Score:4.55 KOX00737p Score:4.55	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 C6H12N3O2:   KOX00478p  KOX00848p   Pages Related to Peak C7H14NO2:   KOX00122p  KOX00659p  KOX00676p   Pages Related to Peak C3H3N2O:   KOX00111p   Pages Related to Peak C4H8N:   KOX00024p  KOX00029p  KOX00064p  KOX00138p  KOX00279p  KOX00306p  KOX00364p  KOX00398p  KOX00440p  KOX00474p  KOX00478p  KOX00487p  KOX00512p  KOX00635p  KOX00638p  KOX00648p  KOX00655p  KOX00676p  KOX00679p  KOX00698p  KOX00736p  KOX00743p  KOX00752p  KOX00818p  KOX00827p  KOX00830p  KOX00838p  KOX00848p  KOX00873p  KOX00874p  KOX00890p  KOX00912p   Pages Related to Peak CH6N3:   KOX00029p  KOX00124p  KOX00233p  KOX00276p  KOX00347p  KOX00420p  KOX00478p  KOX00653p  KOX00666p  KOX00672p  KOX00676p  KOX00737p  KOX00781p  KOX00848p  KOX00881p

Annotations

Precursor	Product	Comments
C8H19N4O2 (203)	C8H16N3O2 (186)	-NH3
C8H19N4O2 (203)	C7H14NO2 (144)	b,-NH3
C8H19N4O2 (203)	CH6N3 (60)	c
C7H14NO2 (144)	C4H8N (70)	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。

KOX00652p	203 C8H19N4O2	186 C8H16N3O2	169 C8H13N2O2	158 C6H12N3O2	144 C7H14NO2	83 C3H3N2O	70 C4H8N	60 CH6N3
203 C8H19N4O2
186 C8H16N3O2	H3N
169 C8H13N2O2	H6N2	H3N
158 C6H12N3O2	C2H7N	C2H4
144 C7H14NO2	CH5N3	CH2N2
83 C3H3N2O	C5H16N2O	C5H13NO	C5H10O	C3H9NO
70 C4H8N	C4H11N3O2	C4H8N2O2	C4H5NO2	C2H4N2O2	C3H6O2
60 CH6N3	C7H13NO2	C7H10O2		C5H6O2

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