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Tilidine-M (-nor-HO-alkyl) MS2
SpectraBase Compound ID G1TVH0bgYI1
InChI InChI=1S/C16H21NO3/c1-12(18)20-15(19)16(13-8-4-3-5-9-13)11-7-6-10-14(16)17-2/h3-6,8-10,12,14,17-18H,7,11H2,1-2H3
InChIKey PHNRNOUZQCRWJD-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5BlGHZsrO0d
Name Tilidine-M (nor-HO-alkyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-300.00]
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Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-12(18)20-15(19)16(13-8-4-3-5-9-13)11-7-6-10-14(16)17-2/h3-6,8-10,12,14,17-18H,7,11H2,1-2H3
InChIKey PHNRNOUZQCRWJD-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(OC(C1(C(C=CCC1)NC)C=1C=CC=CC1)=O)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