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3-MF-M (carboxylic acid) MS2
SpectraBase Compound ID 8u1pkElXm2n
InChI InChI=1S/C23H28N2O3/c1-18-17-24(14-12-19-8-4-2-5-9-19)15-13-21(18)25(22(26)16-23(27)28)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,27,28)
InChIKey QCRADZQPZASFFI-UHFFFAOYSA-N
Mol Weight 380.49 g/mol
Molecular Formula C23H28N2O3
Exact Mass 380.209993 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EKNnhReZfsN
Name 3-Methylfentanyl-M (carboxylic acid) MS2
Comments F: ITMS + c ESI d w Full ms2 381.10
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Formula C23H28N2O3
InChI InChI=1S/C23H28N2O3/c1-18-17-24(14-12-19-8-4-2-5-9-19)15-13-21(18)25(22(26)16-23(27)28)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,27,28)
InChIKey QCRADZQPZASFFI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(CC(N(C1=CC=CC=C1)C1CCN(CC1C)CCC1=CC=CC=C1)=O)=O
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 ms2
Technique ITMS