TEMPERATURE                    298 K
SAMPLE                         scyllo_inosoitol
SAMPLE_CONC                    saturated
SAMPLE_UNITS                   N/A
SOLVENT                        D2O
BUFFER                         Sodium Phosphate
BUFFER_CONC                    50
BUFFER_UNITS                   mM
BUFFER_2                       NaAzide
BUFFER_2_CONC                  500
BUFFER_2_UNITS                 uM
REFERRENCE                     DSS
REFERRENCE_CONC                500
REFERRENCE_UNITS               uM
pH                             7.4
SPECT_MANUFACTURER             Bruker
SPECT_MODEL                    DMX
SPECT_FIELD_STRENGTH           400

EXPERIMENT_1                   1D 1H
EXPERIMENT_2                   2D [1H,1H]-TOCSY
EXPERIMENT_3                   1D 13C
EXPERIMENT_4                   1D DEPT90
EXPERIMENT_5                   1D DEPT135
EXPERIMENT_6                   2D [1H,13C]-HSQC

VENDOR	Sigma
VENDOR_PROD_NAME	scyllo-Inositol
VENDOR_PROD_CODE	i8132
COLLECTED_BY	Madison Metabolomics Consortium