Record Information
Version1.0
Creation date2010-04-08 22:09:12 UTC
Update date2015-07-20 22:33:57 UTC
Primary IDFDB010578
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDiammonium sulfite
DescriptionFood additive listed in the EAFUS Food Additive Database (Jan 2001)
CAS Number10196-04-0
Structure
Thumb
Synonyms
SynonymSource
Ammonium sulfitedb_source
Ammonium sulfonatebiospider
Ammonium sulphitebiospider
Diammonium sulfonatebiospider
Sulfurous acid, ammonium saltbiospider
Sulfurous acid, ammonium salt (1:2)biospider
Sulfurous acid, diammonium saltbiospider
Predicted PropertiesNot Available
Chemical FormulaH8N2O3S
IUPAC name
InChI IdentifierInChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
InChI KeyInChIKey=PQUCIEFHOVEZAU-UHFFFAOYSA-N
Isomeric SMILES[NH4+].[NH4+].[O-]S([O-])=O
Average Molecular Weight116
Monoisotopic Molecular Weight116
Classification
ClassificationNot classified
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 6.94%; N 24.12%; O 41.33%; S 27.61%DFC
Melting PointNot Available
Boiling PointSubl. 150°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-0900000000-bec6a287e38ad9d1de42View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-407d0c3efa2213951310View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-407d0c3efa2213951310View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0900000000-407d0c3efa2213951310View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0900000000-b67d1b925e89001306cfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0900000000-b67d1b925e89001306cfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0900000000-b67d1b925e89001306cfView in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID25041
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB32634
CRC / DFC (Dictionary of Food Compounds) IDFDO90-O:FDO90-O
EAFUS ID186
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference