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JWH 122
SpectraBase Compound ID 3RUSfhn17dg
InChI InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKey HUKJQMKQFWYIHS-UHFFFAOYSA-N
Mol Weight 355.48 g/mol
Molecular Formula C25H25NO
Exact Mass 355.193614 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LiIxy4DBX0R
Name JWH-122 MS2
CAS Registry Number 619294-47-2
Comments F: ITMS + c ESI d w Full ms2 356.10
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Formula C25H25NO
InChI InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKey HUKJQMKQFWYIHS-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C12=C(C=CC(=C2C=CC=C1)C)C(C=1C=2C=CC=CC2N(C1)CCCCC)=O
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