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

Showing iCard for Succinic acid (2TMS) (PMG000008)

 

 

 

 

Mass spectrum

(Rel abundance vs m/z)

Succinic acid (2TMS)

Peaks

(73  366) ( 75  225) (147 1000) (148  158) (149   81)

(247  200)

Average Retention time (min)

 

16.61

 

Quant mass (Da)

 

147

 

 

Common Name

 

Succinic acid

 

Structure

 

Succinic acid

 

Synonym(s)

 

Butanedionic acid; Succinate; Butanedionate; 1,4-Butanedioate; 1,4-Butanedioic acid;

Ethylenesuccinic acid

 

KEGG ID

 

C00042

 

Golm Metabolome Database ID

 

A134001

 

PubChem CID

 

1110

 

CAS Registry Number

 

110-15-6

 

Biosynthetic pathways (KEGG)

 

map00020Citrate cycle (TCA cycle) map00190Oxidative phosphorylation map00250Alanine, aspartate and glutamate metabolism map00350Tyrosine metabolism map00360Phenylalanine metabolism map00620Pyruvate metabolism map00630Glyoxylate and dicarboxylate metabolism map00640Propanoate metabolism map00650Butanoate metabolism map00760Nicotinate and nicotinamide metabolism map01061Biosynthesis of phenylpropanoids map01062Biosynthesis of terpenoids and steroids map01063Biosynthesis of alkaloids derived from shikimate pathway map01064Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid map01065Biosynthesis of alkaloids derived from histidine and purine map01066Biosynthesis of alkaloids derived from terpenoid and polyketide

 

Monoisotopic mass (Da)

 

118.0266

 

Average Molecular Mass (Da)

 

118.0880

 

Molecular Formula

 

C4H6O4

 

Chemical Group

 

Carboxylic 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