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DALT-D4 MS3_1
SpectraBase Compound ID EhHRtLQD5Jc
InChI InChI=1S/C7H12N/c1-4-6-8(3)7-5-2/h4-5H,1-3,6-7H2/q+1/i3D2
InChIKey GPRINWOKSJBKMG-SMZGMGDZSA-N
Mol Weight 112.19 g/mol
Molecular Formula C7H102H2N
Exact Mass 112.109528 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7oMmY0X6gzM
Name DALT-D4 MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-125.00]
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Formula C7H10D2N
InChI InChI=1S/C7H12N/c1-4-6-8(3)7-5-2/h4-5H,1-3,6-7H2/q+1/i3D2
InChIKey GPRINWOKSJBKMG-SMZGMGDZSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(=[N+](CC=C)CC=C)([2H])[2H]
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