MassBank:KOX00225p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Ethylglutamine

IDs and Links
MassBank	N-Ethylglutamine
CAS
Keio ID	E005+

Top 10 Similar Molecules of N-Ethylglutamine

Ranking	About scoring
KOX00281p Score:19.83 KOX00270p Score:19.83 KOX00259p Score:19.83 KOX00022p Score:19.83 KOX00024p Score:19.5 KOX00733p Score:15.75 KOX00529p Score:15.75 KOX00476p Score:15.75 KOX00268p Score:15.75 KOX00254p Score:15.75	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
C7H15N2O3 (175)	C7H12NO3 (158)	b
C7H15N2O3 (175)	C7H13N2O2 (157)	-H2O
C7H15N2O3 (175)	C5H8NO3 (130)	d,-NH3
C7H15N2O3 (175)	C6H13N2O (129)	a
C7H15N2O3 (175)	C4H8NO2 (102)	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。

KOX00225p	175 C7H15N2O3	158 C7H12NO3	157 C7H13N2O2	130 C5H8NO3	129 C6H13N2O	102 C4H8NO2	85 C4H5O2	84 C4H6NO	72 C3H6NO	56 C3H6N
175 C7H15N2O3
158 C7H12NO3	H3N
157 C7H13N2O2	H2O
130 C5H8NO3	C2H7N	C2H4
129 C6H13N2O	CH2O2		CO
102 C4H8NO2	C3H7NO	C3H4O	C3H5N	CO
85 C4H5O2	C3H10N2O	C3H7NO	C3H8N2	CH3NO		H3N
84 C4H6NO	C3H9NO2	C3H6O2	C3H7NO	CH2O2	C2H7N	H2O
72 C3H6NO	C4H9NO2	C4H6O2	C4H7NO	C2H2O2	C3H7N	CH2O		C
56 C3H6N	C4H9NO3	C4H6O3	C4H7NO2	C2H2O3	C3H7NO	CH2O2		CO	O

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