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CYQFCXCEBYINGO-UHFFFAOYSA-N
SpectraBase Compound ID AYqyOcj8rpC
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
InChIKey CYQFCXCEBYINGO-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FWr4THMXMbv
Name Dronabinol MS2
Comments F: ITMS + c ESI d w Full ms2 315.10
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Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
InChIKey CYQFCXCEBYINGO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C2=C(C=C(CCCCC)C1)OC(C1CCC(C)=CC21)(C)C
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS