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Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)-
SpectraBase Compound ID 60vK5d3XVgy
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17?,18+/m1/s1
InChIKey LLPOLZWFYMWNKH-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IB8z3k3XTtj
Name Hydrocodone ##
CAS Registry Number 125-29-1
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-325.00]
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11?,12-,17?,18+/m1/s1
InChIKey LLPOLZWFYMWNKH-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C12=C3C[C@@]4(C5CCC(C([C@]25CCN4C)OC1=C(OC)C=C3)=O)[H]
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