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Details of Biotin (3TMS)

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Role Analyte
nameBiotin (3TMS)
MPIMP IDA249008
isotopomerambient
formulaC19H40N2O3SSi3
molecular mass460.856
monoisotopic mass460.20674
InChIInChI=1S/C19H40N2O3SSi3/c1-26(2,3)20-15-14-25-16(18(15)21(19(20)23)27(4,5)6)12-10-11-13-17(22)24-28(7,8)9/h15-16,18H,10-14H2,1-9H3/t15-,16-,18-/m0/s1
InChIKeyQSFIQUSEPGPITA-BQFCYCMXSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,494.76
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27f22ce19e-cc5d-4106-8eb3-a3ba476f1619%27)

Synonyms of Biotin (3TMS)

propertyvalue
synonymB000178
synonymBiotin (3TMS)
2 synonym(s)

Metabolite mapped to Biotin (3TMS)

metabolitestereoisomerisotopomer
Biotin  ambient
1 metabolite(s)

Reference spectra of Biotin (3TMS)

replicaentry datedetectionmethodspecies
48/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
33/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
4 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 8/9/2011 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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