MassBank:KOX00270p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-Glu

IDs and Links
MassBank	L-Glu
CAS	56-86-0
Keio ID	G019+

Top 10 Similar Molecules of L-Glu

Ranking	About scoring
KOX00281p Score:25.77 KOX00259p Score:25.77 KOX00022p Score:25.77 KOX00225p Score:19.83 KOX00712p Score:16.53 KOX00048p Score:16.53 KOX00733p Score:15.75 KOX00529p Score:15.75 KOX00476p Score:15.75 KOX00268p 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
C5H10NO4 (148)	C5H7O4 (131)	e
C5H10NO4 (148)	C5H8NO3 (130)	-H2O
C5H10NO4 (148)	C4H8NO2 (102)	a[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。

KOX00270p	148 C5H10NO4	131 C5H7O4	130 C5H8NO3	113 C5H5O3	102 C4H8NO2	85 C4H5O2	84 C4H6NO	56 C3H6N
148 C5H10NO4
131 C5H7O4	H3N
130 C5H8NO3	H2O
113 C5H5O3	H5NO	H2O	H3N
102 C4H8NO2	CH2O2		CO
85 C4H5O2	CH5NO2	CH2O2	CH3NO	CO	H3N
84 C4H6NO	CH4O3		CH2O2		H2O
56 C3H6N	C2H4O4		C2H2O3		CH2O2		CO

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