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N-gamma-acetyl-N-2-formyl-5-methoxykynurenamine, 1TMS, 1MEOX
SpectraBase Compound ID 46HTzqDL3Nr
InChI InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKey JYWNYMJKURVPFH-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C13H16N2O4
Exact Mass 264.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Jxa6gNcUPN
Name N-gamma-acetyl-N-2-formyl-5-methoxykynurenamine, 1TMS
Comments Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 336.151); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001063; Note: The molecular formula of the structure shown is C13H16N2O4 - which differs from the formula reported for the mass spectrum (C16H24N2O4Si)
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Formula C16H24N2O4Si
InChI InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKey JYWNYMJKURVPFH-UHFFFAOYSA-N
Molecular Weight 264.281 g/mol
SMILES N(CCC(c1cc(ccc1NC=O)OC)=O)C(C)=O
SPLASH splash10-001i-1790000000-9701d4b9d442179334a0
Source of Spectrum FM-2019-1063-0
Synonyms AFMK, 1TMS A2355_SIGMA, 1TMS NSC688263, 1TMS Formyl-N-acetyl-5-methoxykynurenamine, 1TMS NSC 688263, 1TMS N-Acetyl-N-formyl-5-methoxykynurenamine, 1TMS N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide, 1TMS N-(3-(2-formamido-5-methoxyphenyl)-3-oxopropyl)acetamide
Wiley ID 1818721