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isoleucine, 1TMS
SpectraBase Compound ID LgiLr3xCgh5
InChI InChI=1S/C9H21NO2Si/c1-6-7(2)8(10)9(11)12-13(3,4)5/h7-8H,6,10H2,1-5H3/t7-,8-/m0/s1
InChIKey ZBVUZZNOZGCJIE-YUMQZZPRSA-N
Mol Weight 203.36 g/mol
Molecular Formula C9H21NO2Si
Exact Mass 203.134155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9s3ZNzeCMr
Name isoleucine, 1TMS
Comments Derivatization type: 1 TMS (mass: 203.134); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000726; Note: The molecular formula of the structure shown is C6H13NO2 - which differs from the formula reported for the mass spectrum (C9H21NO2Si)
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Formula C9H21NO2Si
InChI InChI=1S/C9H21NO2Si/c1-6-7(2)8(10)9(11)12-13(3,4)5/h7-8H,6,10H2,1-5H3/t7-,8-/m0/s1
InChIKey ZBVUZZNOZGCJIE-YUMQZZPRSA-N
Molecular Weight 203.357 g/mol
SMILES N[C@@]([C@@](C)(CC)[H])(C(=O)O[Si](C)(C)C)[H]
SPLASH splash10-000i-9100000000-fc485fef1811f351d973
Source of Spectrum FM-2019-726-0
Synonyms l-isoleucine, 1TMS Isoleucine, 1TMS (S)-Isoleucine, 1TMS Polyisoleucine, 1TMS iso-leucine, 1TMS (S,S)-Isoleucine, 1TMS (2S,3S)-2-amino-3-methylpentanoic acid, 1TMS Trimethylsilyl L-isoleucinate
Wiley ID 1818403