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N-acetyl-5-hydroxytryptamine, 3TMS
SpectraBase Compound ID I09zmU0FYZ4
InChI InChI=1S/C21H38N2O2Si3/c1-17(24)22(26(2,3)4)14-13-18-16-23(27(5,6)7)21-12-11-19(15-20(18)21)25-28(8,9)10/h11-12,15-16H,13-14H2,1-10H3
InChIKey SDTXWHNOKGNTER-UHFFFAOYSA-N
Mol Weight 434.8 g/mol
Molecular Formula C21H38N2O2Si3
Exact Mass 434.224108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YFk6ONLWWk
Name N-acetyl-5-hydroxytryptamine, 3TMS
Comments Derivatization type: 3 TMS (mass: 434.224); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000692; Note: The molecular formula of the structure shown is C12H14N2O2 - which differs from the formula reported for the mass spectrum (C21H38N2O2Si3)
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Formula C21H38N2O2Si3
InChI InChI=1S/C21H38N2O2Si3/c1-17(24)22(26(2,3)4)14-13-18-16-23(27(5,6)7)21-12-11-19(15-20(18)21)25-28(8,9)10/h11-12,15-16H,13-14H2,1-10H3
InChIKey SDTXWHNOKGNTER-UHFFFAOYSA-N
Molecular Weight 434.802 g/mol
SMILES CC(N(CCc1c[n](c2ccc(cc12)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=O
SPLASH splash10-0f6x-0692000000-7fb4ee3fbbdde64934f5
Source of Spectrum FM-2019-692-0
Synonyms N-acetylserotonin, 3TMS Normelatonin, 3TMS N-acetyl-serotonin, 3TMS N-Acetyl-5-hydroxytryptamine, 3TMS N-ACETYL SEROTONIN, 3TMS Spectrum_000369, 3TMS N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide, 3TMS N-(trimethylsilyl)-N-(2-(1-(trimethylsilyl)-5-((trimethylsilyl)oxy)-1H-indol-3-yl)ethyl)acetamide
Wiley ID 1818370