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Milnaciprane-M (HOOC-) MS3_2
SpectraBase Compound ID JHcZjce839F
InChI InChI=1S/C5H10NO/c1-3-6(4-2)5-7/h3-4H2,1-2H3/q+1
InChIKey CFWSJSDRLQOMIH-UHFFFAOYSA-N
Mol Weight 100.14 g/mol
Molecular Formula C5H10NO
Exact Mass 100.076239 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Jiu2jWkOnXE
Name Milnaciprane MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-115.00]
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InChI InChI=1S/C5H10NO/c1-3-6(4-2)5-7/h3-4H2,1-2H3/q+1
InChIKey CFWSJSDRLQOMIH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](=O)N(CC)CC
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