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Details of Saccharin (1TMS)

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Role Analyte
nameSaccharin (1TMS)
MPIMP IDA184025
isotopomerambient
formulaC10H13NO3SSi
molecular mass255.367
monoisotopic mass255.03854
InChIInChI=1S/C10H13NO3SSi/c1-16(2,3)11-10(12)8-6-4-5-7-9(8)15(11,13)14/h4-7H,1-3H3
InChIKeyGVFUPCFXJXOPNK-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,840.36
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279754a898-8e0b-48c9-aeb9-905161be1e6d%27)

Synonyms of Saccharin (1TMS)

propertyvalue
ChemSpider ID15089338
PubChem CID12789962
synonymB000979
synonymSaccharin
synonymSaccharin (1TMS)
5 synonym(s)

Metabolite mapped to Saccharin (1TMS)

metabolitestereoisomerisotopomer
Saccharinno ambient
1 metabolite(s)

Reference spectra of Saccharin (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
53/30/2011 4:52:37 PM Fiehn_GC_2010 
46/10/2009 1:28:04 PM VAR5Reference Substance
311/26/2004 12:00:00 AM M[FAME4090]Reference Substance
5 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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