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Details of Homocystine (4TMS)

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Role Analyte
nameHomocystine (4TMS)
MPIMP IDA253009
isotopomerambient
formulaC20H48N2O4S2Si4
molecular mass557.081
monoisotopic mass556.21326
InChIInChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3
InChIKeyVVODJOVRLCDBOE-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,532.68
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2786acbe56-ed85-4006-b0b0-6b27419a4123%27)

Synonyms of Homocystine (4TMS)

propertyvalue
ChemSpider ID480900
synonymB000530
synonymHomocystine (4TMS)
3 synonym(s)

Metabolite mapped to Homocystine (4TMS)

metabolitestereoisomerisotopomer
HomocystineL- ambient
HomocystineDL- ambient
2 metabolite(s)

Reference spectra of Homocystine (4TMS)

replicaentry datedetectionmethodspecies
27/19/2007 11:16:30 AM VAR5Reference Substance
138/28/2012 5:51:49 PM MassBank GC 2010 Ara 
47/19/2007 11:16:30 AM VAR5Reference Substance
57/19/2007 11:16:30 AM MDN35Reference Substance
98/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
108/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
83/30/2011 4:52:37 PM Fiehn_GC_2010 
7 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.
service last updated 04/12/2020 © 2008-2014 Golm Metabolome Database - All rights reserved
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