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Creatinine-D3 AC
SpectraBase Compound ID Gz39d5hAH5u
InChI InChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/i2D3
InChIKey QMQDYPSDRZORPH-BMSJAHLVSA-N
Mol Weight 158.18 g/mol
Molecular Formula C6H6D3N3O2
Exact Mass 158.088307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EU7b6vGXA
Name Creatinine-D3 AC
Classification Internal standard
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Exact Mass 158.088306778 u
Formula C6H6N3O2D3
InChI InChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/i2D3
InChIKey QMQDYPSDRZORPH-BMSJAHLVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 158.175 g/mol
SMILES CC(N1C(=N)N(C([D])([D])[D])CC1=O)=O
SPLASH splash10-052f-2900000000-2a6751f4ac9ce45d1e76
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10909