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MMB-FUBINACA-M (HOOC-glucuronide) MS3_1
SpectraBase Compound ID 1b4BdPvUWWX
InChI InChI=1S/C20H18FN3O2/c1-13(2)17(12-25)22-20(26)19-16-5-3-4-6-18(16)24(23-19)11-14-7-9-15(21)10-8-14/h3-10,13,17H,11H2,1-2H3/p+1
InChIKey AOVGGGPPTODOLQ-UHFFFAOYSA-O
Mol Weight 352.39 g/mol
Molecular Formula C20H19FN3O2
Exact Mass 352.14613 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5hfUc4sqYIC
Name AB-FUBINACA-M artifact (deamido-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-350.00]
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Formula C19H18FN3O
InChI InChI=1S/C20H18FN3O2/c1-13(2)17(12-25)22-20(26)19-16-5-3-4-6-18(16)24(23-19)11-14-7-9-15(21)10-8-14/h3-10,13,17H,11H2,1-2H3/p+1
InChIKey AOVGGGPPTODOLQ-UHFFFAOYSA-O
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C(C=1C2=C(C=CC=C2)N(N1)CC1=CC=C(C=C1)F)=O)C([C+]=O)C(C)C
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