MassBank:KOX00268p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-Gln

IDs and Links
MassBank	L-Gln
CAS	56-85-9
Keio ID	G018+

Top 10 Similar Molecules of L-Gln

Ranking	About scoring
KOX00733p Score:28.62 KOX00593p Score:19.72 KOX00254p Score:19.72 KOX00406p Score:15.91 KOX00778p Score:15.75 KOX00586p Score:15.75 KOX00529p Score:15.75 KOX00476p Score:15.75 KOX00281p Score:15.75 KOX00270p 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
C5H11N2O3 (147)	C5H8NO3 (130)	-NH3
C5H11N2O3 (147)	C4H8NO2 (102)	b
C5H11N2O3 (147)	C2H4NO2 (74)	e

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。

KOX00268p	147 C5H11N2O3	130 C5H8NO3	115 C5H7O3	102 C4H8NO2	84 C4H6NO	74 C3H8NO	74 C2H4NO2	56 C3H6N
147 C5H11N2O3
130 C5H8NO3	H3N
115 C5H7O3	H4N2	HN
102 C4H8NO2	CH3NO	CO
84 C4H6NO	CH5NO2	CH2O2		H2O
74 C3H8NO	C2H3NO2	C2O2		CO
74 C2H4NO2	C3H7NO	C3H4O		C2H4
56 C3H6N	C2H5NO3	C2H2O3		CH2O2	CO	H2O

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