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Dextromoramide-M (HO-) MS3_1
SpectraBase Compound ID 6ETEC1DQa45
InChI InChI=1S/C21H23NO2/c1-16(2)21(17-8-4-3-5-9-17,18-10-12-19(23)13-11-18)20(24)22-14-6-7-15-22/h3-5,8-13,16H,1,6-7,14-15H2,2H3/p+1
InChIKey MNJNYQISZGKDPD-UHFFFAOYSA-O
Mol Weight 322.43 g/mol
Molecular Formula C21H24NO2
Exact Mass 322.180704 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8UxkCBiTRo
Name Dextromoramide-M (HO-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-335.00]
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InChI InChI=1S/C21H23NO2/c1-16(2)21(17-8-4-3-5-9-17,18-10-12-19(23)13-11-18)20(24)22-14-6-7-15-22/h3-5,8-13,16H,1,6-7,14-15H2,2H3/p+1
InChIKey MNJNYQISZGKDPD-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C(C(C([CH2+])C)(C(=O)N2CCCC2)C2=CC=CC=C2)C=C1
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS