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JWH-022-M (HO-) isomer 4 MS3_1
SpectraBase Compound ID KfunT8rV0fx
InChI InChI=1S/C14H14NO/c1-2-3-6-9-15-10-12(11-16)13-7-4-5-8-14(13)15/h2,4-5,7-8,10H,1,3,6,9H2/q+1
InChIKey MNITVKBUGKZXGF-UHFFFAOYSA-N
Mol Weight 212.27 g/mol
Molecular Formula C14H14NO
Exact Mass 212.107539 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4fzQfkgQn0E
Name JWH-022 MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-225.00]
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Formula C14H14NO
InChI InChI=1S/C14H14NO/c1-2-3-6-9-15-10-12(11-16)13-7-4-5-8-14(13)15/h2,4-5,7-8,10H,1,3,6,9H2/q+1
InChIKey MNITVKBUGKZXGF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](C1=CN(C2=C1C=CC=C2)CCCC=C)=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 ms3
Technique ITMS