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Carbromal MS3_1
SpectraBase Compound ID 3IRpz1A13bl
InChI InChI=1S/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9)/p+1
InChIKey ACEYAMOAGUDVAQ-UHFFFAOYSA-O
Mol Weight 195.08 g/mol
Molecular Formula C6H13BrNO
Exact Mass 194.018052 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8MixpLsHNux
Name Carbromal MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00]
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InChI InChI=1S/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9)/p+1
InChIKey ACEYAMOAGUDVAQ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]C(=O)C(CC)(CC)Br
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