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MOPPP-M (O-demethyl-) MS3_1
SpectraBase Compound ID 1VhCHL1dd2y
InChI InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H3/p+1
InChIKey CBEIDBCZVDXLRL-UHFFFAOYSA-O
Mol Weight 149.17 g/mol
Molecular Formula C9H9O2
Exact Mass 149.060255 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4IjMKESvmNV
Name PPP-M (4-HO-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-160.00]
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InChI InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H3/p+1
InChIKey CBEIDBCZVDXLRL-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C(C([CH+]C)=O)C=C1
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