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JWH-122-M (COOH-sidechain) MS3_1
SpectraBase Compound ID 1tgw3Ocnzjp
InChI InChI=1S/C12H9O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,1H3/q+1
InChIKey GFXMPJWCPIBLIC-UHFFFAOYSA-N
Mol Weight 169.2 g/mol
Molecular Formula C12H9O
Exact Mass 169.06534 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5zravcrCPdu
Name MAM-2201-M (HO-) isomer 2 MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00]
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Formula C12H9O
InChI InChI=1S/C12H9O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,1H3/q+1
InChIKey GFXMPJWCPIBLIC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](=O)C1=C2C(=C(C=C1)C)C=CC=C2
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS