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Details of Melatonin (2TMS)

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Role Analyte
nameMelatonin (2TMS)
MPIMP IDA238006
isotopomerambient
formulaC19H32N2O2Si2
molecular mass376.641
monoisotopic mass376.20023
InChIInChI=1S/C19H32N2O2Si2/c1-15(22)20(24(3,4)5)12-11-16-14-21(25(6,7)8)19-10-9-17(23-2)13-18(16)19/h9-10,13-14H,11-12H2,1-8H3
InChIKeyGGBLKQNXPKSZBO-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,408.72
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2732af032d-8e29-4b8f-b787-4559879be5e1%27)

Synonyms of Melatonin (2TMS)

propertyvalue
ChemSpider ID535360
PubChem CID615969
2 synonym(s)

Metabolite mapped to Melatonin (2TMS)

metabolitestereoisomerisotopomer
Melatonin  ambient
1 metabolite(s)

Reference spectra of Melatonin (2TMS)

replicaentry datedetectionmethodspecies
43/30/2011 4:52:37 PM Fiehn_GC_2010 
15/12/2005 12:00:00 AM M[NIST] 
27/19/2007 11:16:30 AM VAR5Reference Substance
31/25/2005 12:00:00 AM M[MOR] 
58/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
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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