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Butoxycarboxim MS3_1
SpectraBase Compound ID ConF4dndDZb
InChI InChI=1S/C5H11NO3S/c1-4(6-7)5(2)10(3,8)9/h5,7H,1-3H3/p+1/b6-4+
InChIKey KBKXFGNHAMAPTK-GQCTYLIASA-O
Mol Weight 166.22 g/mol
Molecular Formula C5H12NO3S
Exact Mass 166.053789 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9ZXlvMwhMgU
Name Butoxycarboxim artifact (+NH4) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00]
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InChI InChI=1S/C5H11NO3S/c1-4(6-7)5(2)10(3,8)9/h5,7H,1-3H3/p+1/b6-4+
InChIKey KBKXFGNHAMAPTK-GQCTYLIASA-O
Ion Polarity P
Ionization Type ESI
SMILES [OH2+]\N=C\(C(S(=O)(=O)C)C)C
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