MassBank:KOX00440p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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N-Methylglutamate

IDs and Links
MassBank	N-Methylglutamate
CAS
Keio ID	M067+

Top 10 Similar Molecules of N-Methylglutamate

Ranking	About scoring
KOX00064p Score:23.32 KOX00794p Score:18.71 KOX00740p Score:18.71 KOX00739p Score:18.71 KOX00292p Score:18.71 KOX00795p Score:13.33 KOX00676p Score:13.17 KOX00736p Score:13.09 KOX00547p Score:9.26 KOX00102p Score:9.26	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
C6H12NO4 (162)	C6H10NO3 (144)	-H2O
C6H12NO4 (162)	C5H10NO2 (116)	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。

KOX00440p	162 C6H12NO4	144 C6H10NO3	116 C5H10NO2	98 C5H8NO	85 C4H5O2	70 C4H8N
162 C6H12NO4
144 C6H10NO3	H2O
116 C5H10NO2	CH2O2	CO
98 C5H8NO	CH4O3	CH2O2	H2O
85 C4H5O2	C2H7NO2	C2H5NO	CH5N
70 C4H8N	C2H4O4	C2H2O3	CH2O2	CO

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