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Pirbuterol artifact 2AC
SpectraBase Compound ID JdElluw9cy8
InChI InChI=1S/C12H14N2O4/c1-8(15)13-6-5-10-3-4-12(17)11(14-10)7-18-9(2)16/h3-6,17H,7H2,1-2H3,(H,13,15)/b6-5+
InChIKey LDCNYJCCXIVLFC-AATRIKPKSA-N
Mol Weight 250.25 g/mol
Molecular Formula C12H14N2O4
Exact Mass 250.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OrRfHHiubD
Name Pirbuterol artifact 2AC
Classification Bronchodilator
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Exact Mass 250.095356935 u
Formula C12H14N2O4
InChI InChI=1S/C12H14N2O4/c1-8(15)13-6-5-10-3-4-12(17)11(14-10)7-18-9(2)16/h3-6,17H,7H2,1-2H3,(H,13,15)/b6-5+
InChIKey LDCNYJCCXIVLFC-AATRIKPKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 250.254 g/mol
Related CAS Registry Number(s) 38677-81-5
SMILES c1c(nc(c(c1)O)COC(C)=O)\C=C\NC(C)=O
SPLASH splash10-0k95-6910000000-ac9451b6b359550254ee
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_6054