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Methohexital MS3_1
SpectraBase Compound ID BlSzySgyDXa
InChI InChI=1S/C11H12N2O3/c1-4-5-6-7(2)8-9(14)12-11(16)13(3)10(8)15/h7H,4H2,1-3H3/p+1
InChIKey BXMZWXGOLAPCIJ-UHFFFAOYSA-O
Mol Weight 221.24 g/mol
Molecular Formula C11H13N2O3
Exact Mass 221.092617 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GQLCj74ziZY
Name Methohexital MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00]
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InChI InChI=1S/C11H12N2O3/c1-4-5-6-7(2)8-9(14)12-11(16)13(3)10(8)15/h7H,4H2,1-3H3/p+1
InChIKey BXMZWXGOLAPCIJ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(N(C([C+](C1=O)C(C#CCC)C)=O)C)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS