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Mescaline-M (HO-) MS2
SpectraBase Compound ID K9eiXkLesBQ
InChI InChI=1S/C11H17NO4/c1-14-8-6-7(4-5-12)9(13)11(16-3)10(8)15-2/h6,13H,4-5,12H2,1-3H3
InChIKey UPWKFKJQQZNBJQ-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5Du9fFBZm2d
Name Mescaline-M (HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 228.00
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Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-14-8-6-7(4-5-12)9(13)11(16-3)10(8)15-2/h6,13H,4-5,12H2,1-3H3
InChIKey UPWKFKJQQZNBJQ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C(=C(C(=CC1CCN)OC)OC)OC
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 ms2
Technique ITMS