This database of S K-edge XANES spectra of sulfur reference compounds has been created thanks to the contribution of the users at ID21. All the references were acquired on ID21. For each reference compound, you will find information about the chemical specificity and about the acquisition mode in this table. The data are also available.

In case of use of these data, we would be grateful if you can cite the database reference and also the bibliographic reference if available. You can also contact the person who acquired the spectrum for more information about the sample. You will find their address by clicking on their name.

This page "database S organic" is dedicated to the sulfur organic compounds and in the second page "database S compound", you will find information related to the mineralogical and chemical sulfur reference compounds.   

The calibration value in keV was defined as the maximum of white-line of the gypsum reference acquired for each experiment. This value is given to be able to calibrate together the different spectra, which may have been acquired during different experiments.

Feel free to contact us in order to report mistakes or modifications and also to propose your own reference.

Summary of the content of the database:

1. Chemical specificity of the reference compounds
2. S chemical environment
3. Origins of the compound and its conditioning
4. Bibliographic references and related acknowledgment
5. Information about the acquisition modes (type of detector, fluorescence or transmission geometry, macro or microbeam)

ID21 Team

Chemical name	Formula	Substance or family	Formal oxidation state	Environment	Acquisition mode	Calibration	Contact person	Bibliographic references	Normalized X-ray absorption data	Spectrum
anthraquinone sulfonic acid	C14 H7 Na O5 S	sulfonate	5	SO3	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/Anthraquinone_Sulfonic_acid_trans_norm.dat	organic compounds/antraquinone_sulfonc_acid_trans_norm.JPG
chondroitine sulfate		sulfate	6	R-O-SO3-	fluorescence transmission	2.4827	Jean-Pierre Cuif	Dauphin, Cuif et al., Marine Biology, 2003, Vol.142, pp.299-304; Cuif, Dauphin et al., Geochemica Cosmochemica Acta, 2003, Vol. 67(1), pp.75-83	chondroitine_sulfate_F_norm.dat chondroitine_sulfate_T_norm.dat	chondroitine_sulfate_F.jpg chondroitine_sulfate_T.jpg
cysteine	C3H7NO2S	amino acid thiols	-1	R-SH	fluorescence	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/cysteine_F_norm.dat	organic compounds/cysteine_F_norm.JPG
L-cysteine	C3H7NO2S	amino acid thiols	-1	R-SH	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/L_cysteine_T_norm.dat	organic compounds/L-cysteine_T_norm.JPG
S-methyl-L-cysteine	C4H9NO2S	amino acid thiols	-1	R-SH	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/S-methyl-L-cysteine_T_norm.dat	organic compounds/S-methyl-L-cysteine_T_norm.JPG
L-cysteine-S-sulfate	C3H7NO5S2	amino acid thiols sulfate	6 and -1		transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/L_cysteine_S_sulfate_T_norm.dat	organic compounds/L-cysteine-S-sulfate_T_norm.JPG
L-cysteinic acid L-cysteic acid	C3H7NO5S . H2O	sulfonate	5	R-O-S-(O)2	fluorescence, transmission	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		cysteic acid_F_norm.dat organic compounds/cysteic acid_T_norm.dat	cysteic acid_F_norm.JPG organic compounds/cysteic acid_T_norm.JPG
dibenzothiophene (DBT)	C12H8S	thiophene	0		transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/Dibenzothiophene_T_norm.dat	dibenzothiophene_T_norm.JPG
dimethylsulfoxide	C2H6SO	sulfoxide	2	R-S=O	fluorescence	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/dimethylsulfoxide_F_norm.dat	organic compounds/dimethylsulfoxide_F_norm.JPG
methionine	C5H11NO2S	amino acid organic monosulfide	0	R-S-R'	fluorescence	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/methionine_F_norm.dat	organic compounds/methionine_F_norm.JPG
					transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/L-methionine_T_norm.dat	organic compounds/L-methionine_T_norm.JPG
DL methionine methylsulfonium chloride	C6H14NO2ClS	sulfonium	1	R R-S+-R	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	DLmethioninemethylsulfonium_Chloride_trans_norm.dat	DL_methionine_methyl_sulfonium_trans.JPG
DL-methionine sulfone	C5H11NO4S	sulfone	4	R-S(=O)2	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/DL_methionine_sulfone_trans_norm.dat	organic compounds/DL_methionine_sulfone_trans_norm.JPG
DL-methionine sulfoxide	C5H11NO3S	sulfoxide	2	R-S=O	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/DL_methionine_sulfoxide_trans_norm.dat	organic compounds/DL_methionine_sulfoxide_trans.JPG
L-cystine	C6H12N2O4S2	amino acid organic disulfide	0	R-S-S-R'	fluorescence	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/L-cystine_F_norm.dat	organic compounds/L-cystine_F_norm.JPG
					transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/L-cystine_T_norm.dat	organic compounds/L-cystine_T_norm.JPG
phenylene disulfide	C12H10S2	aryl-disulfide	0,2	R-S-S-R	fluorescence transmission	2.4826	Laurence Lemelle Frances Westall	Lemelle et al., Organic Geochemistry, 2008, 39(2), 188-202	phenylene_disulfide_T_norm.dat	phenylene_disulfide_T_norm.JPG
polyphenylene sulfide (PPT)	C6H5S	aryl-monosulfide	0,5	R-S	fluorescence transmission	2.4826	Laurence Lemelle Frances Westall	Lemelle et al., Organic Geochemistry, 2008, 39(2), 188-202	polyphenylene_sulfide_T_norm.dat	polyphenylene_sulfide_T_norm.JPG
oxidized glutathion	C10H17N3O6S	amino acid thiols	-1	R-SH	transmission fluorescence	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/glutathion_oxidized_T_norm.dat	organic compounds/glutathion_ox_T_norm.JPG
									organic compounds/glutathion_oxidized_F_norm.dat	organic compounds/glutathion_ox_F_norm.JPG
reduced glutathion	C10H17N3O6S	amino acid thiols	-1	R-SH	fluorescence, transmission	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/glutathion_reduced_T_norm.dat	organic compounds/glutathion_red_T_norm.JPG
									organic compounds/glutathion_reduced_F_norm.dat	organic compounds/glutathion_red_F_norm.JPG
sodium tetrathionate dihydrate	H4O8Na2S4	sulfide	0 and 6	SO3--S-S-SO3-	fluorescence	ZnSO4 at 2.4825 keV	Magdalena Szczerbowska-Boruchowska		organic compounds/Natetrathionate_2H2O_F_norm.dat	organic compounds/Natetrathionate_2H2O_F_norm.JPG
taurine	C2H7NO3S	sulfonate	5	SO3	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	Taurine_trans_norm.dat	Taurine_T.JPG
thianthrene	C12H8S2		0,5		transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/Thianthrene_T_norm.dat	organic compounds/Thianthrene_T_norm.JPG
thioctic acid alpha-lipoic acid	C8H14O2S2	disulfide	0	R-S-S-R'	transmission	2.4827	Sylvain Bohic	Bohic et al., Anal Chem, 2008 Nov13 [Epub ahead of print]	organic compounds/alpha-lipoic_acid_T_norm.dat	organic compounds/alpha-lipoic_acid_T_norm.JPG