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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 GqgmSXyqSbr
Name 3-Methylfentanyl-M (carboxylic acid)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-405.00]
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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
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(CC(N(C1=CC=CC=C1)C1CCN(CC1C)CCC1=CC=CC=C1)=O)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD