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PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)

Showing iCard for g-Aminobutyric acid (GABA) (3TMS) (PMG000018)

 

 

 

Mass spectrum

(Rel abundance vs m/z)

GABA

Peaks

( 59   19) ( 73   63) ( 86   46) (131   32) (144   21)

(147  141) (148   26) (172   25) (174 1000) (175  155)

(176  105) (216   58) (247   14) (304  439)

Average Retention time (min)

 

22.22

 

Quant mass (Da)

 

174

 

 

 

 

 

 

Common Name

 

gamma-Aminobutyric acid

 

Structure

 

 g-Aminobutyric acid (GABA)-

 

Synonym(s)

 

4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; GABA

 

KEGG ID

 

C00334

 

Golm Metabolome Database ID

 

A153003

 

PubChem CID

 

119

 

CAS Registry Number

56-12-2

Biosynthetic pathway(s) (KEGG)

 

map00330Arginine and proline metabolism map00410beta-Alanine metabolism map00650Butanoate metabolism map00760Nicotinate and nicotinamide metabolism

 

Monoisotopic mass (Da)

 

103.0633

 

Average Molecular Mass (Da)

 

103.1198

 

Molecular Formula

 

C4H9NO2

 

Chemical group

 

Amino acids

 

 

Analyzer

 

Agilent 6890 MS platform; 5973 series mass selective detector (MSD); 7683 autosampler

 

Carrier gas

Helium

Flow rate

 

1 mL min-1

 

Column

 

HP-5MS, length; 30 m, i.d.; 0.25 mm, film thickness 0.25 μm, Agilent Technologies Inc.

 

Ionization

 

Electron Impact (EI), Positive

 

Mass range

 

50-800 Da

 

Injector

 

10:1 split mode; temperature of 230oC

 

Oven temperature

 

70oC stable 5 min; 5oC min-1 increase to 295oC;

stable 2 min

 

 

Curator(s): I. KALAMPOKIS, Dr KA ALIFERIS