MassBank:KOX00100p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Amino-2-methylbutanoate

IDs and Links
MassBank	2-Amino-2-methylbutanoate
CAS
Keio ID	A189+

Top 10 Similar Molecules of 2-Amino-2-methylbutanoate

Ranking	About scoring
KOX00079p Score:24.42 KOX00623p Score:18.18 KOX00464p Score:18.18 KOX00818p Score:12.64 KOX00908p Score:9.49 KOX00343p Score:8.82 KOX00861p Score:7.39 KOX00773p Score:7.39 KOX00762p Score:7.39 KOX00676p Score:7.39	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
C5H12NO2 (118)	C5H9O2 (101)	b
C5H12NO2 (118)	C4H10N (72)	a
C4H10N (72)	C4H7 (55)	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。

KOX00100p	118 C5H12NO2	101 C5H9O2	83 C5H7O	72 C4H10N	57 C3H7N	55 C4H7
118 C5H12NO2
101 C5H9O2	H3N
83 C5H7O	H5NO	H2O
72 C4H10N	CH2O2
57 C3H7N	C2H5O2			CH3
55 C4H7	CH5NO2	CH2O2	CO	H3N

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