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Cycloate MS3_1
SpectraBase Compound ID KetBKjPTb3m
InChI InChI=1S/C9H16NO/c1-2-10(8-11)9-6-4-3-5-7-9/h9H,2-7H2,1H3/q+1
InChIKey BBXLVATYXBULNY-UHFFFAOYSA-N
Mol Weight 154.23 g/mol
Molecular Formula C9H16NO
Exact Mass 154.123189 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8VBKAjCNCC
Name Cycloate MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-165.00]
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InChI InChI=1S/C9H16NO/c1-2-10(8-11)9-6-4-3-5-7-9/h9H,2-7H2,1H3/q+1
InChIKey BBXLVATYXBULNY-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](=O)N(CC)C1CCCCC1
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