Natural Isotopic formula weight: 130.0987400000

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Itaconic acid

bmse000137 Data
Entry STAR file: bmse000137.str
Time Domain Data: bmse000137.tar

itaconic acid
Source:   E.H.Sargent 2690
Solvent:   100 % D2O
Buffer:   50 mM sodium phosphate
Cytocide:   500 µM sodium azide
Reference:   500 µM DSS

Concentration and pH are given with spectrum
Spectrometer:   Bruker DMX - 400 MHz

Data Source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley.

Assigned Chemical Shifts
1D 1H
Concentration:  100 mM,   pH:  7.4,   temperature:  298 K

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spectrum for Itaconic acid
Time Domain Data:     1H.tar
View Spectral peak list
2D [1H,1H]-TOCSY
Concentration:  100 mM,   pH:  7.4,   temperature:  298 K

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spectrum for Itaconic acid
Time Domain Data:     HH_TOCSY.tar
1D 13C
Concentration:  100 mM,   pH:  7.4,   temperature:  298 K

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spectrum for Itaconic acid
Time Domain Data:     13C.tar
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1D DEPT90
Concentration:  100 mM,   pH:  7.4,   temperature:  298 K
Time Domain Data:     DEPT_90.tar
1D DEPT135
Concentration:  100 mM,   pH:  7.4,   temperature:  298 K

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spectrum for Itaconic acid
Time Domain Data:     DEPT_135.tar
View Spectral peak list
2D [1H,13C]-HSQC
Concentration:  100 mM,   pH:  7.4,   temperature:  298 K

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spectrum for Itaconic acid
Time Domain Data:     1H_13C_HSQC.tar
View Spectral peak list