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Isoleucine 2TMS
SpectraBase Compound ID IO2WcGFeLp3
InChI InChI=1S/C12H29NO2Si2/c1-9-10(2)11(13-16(3,4)5)12(14)15-17(6,7)8/h10-11,13H,9H2,1-8H3/t10-,11-/m0/s1
InChIKey JQJPJSDLFYVVEY-QWRGUYRKSA-N
Mol Weight 275.54 g/mol
Molecular Formula C12H29NO2Si2
Exact Mass 275.173682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAULKigBIET
Name isoleucine, 2TMS
Comments Derivatization type: 2 TMS (mass: 275.174); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001035; Note: The molecular formula of the structure shown is C6H13NO2 - which differs from the formula reported for the mass spectrum (C12H29NO2Si2)
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Formula C12H29NO2Si2
InChI InChI=1S/C12H29NO2Si2/c1-9-10(2)11(13-16(3,4)5)12(14)15-17(6,7)8/h10-11,13H,9H2,1-8H3/t10-,11-/m0/s1
InChIKey JQJPJSDLFYVVEY-QWRGUYRKSA-N
Molecular Weight 275.539 g/mol
SMILES N([C@@]([C@@](C)(CC)[H])(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C
SPLASH splash10-0a4i-0910000000-caf96218d5250b1428d4
Source of Spectrum FM-2019-1035-0
Synonyms l-isoleucine, 2TMS Isoleucine, 2TMS (S)-Isoleucine, 2TMS Polyisoleucine, 2TMS iso-leucine, 2TMS (S,S)-Isoleucine, 2TMS (2S,3S)-2-amino-3-methylpentanoic acid, 2TMS Trimethylsilyl (trimethylsilyl)-L-isoleucinate
Wiley ID 1818694