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TMA-2-M (O-demethyl-glucuronide) MS3_1
SpectraBase Compound ID DpEtdPtOZjc
InChI InChI=1S/C12H17O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,6H2,1-4H3/q+1
InChIKey XEDFEMDPNJKTEW-UHFFFAOYSA-N
Mol Weight 209.26 g/mol
Molecular Formula C12H17O3
Exact Mass 209.117769 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9frxg6CAZB7
Name TMA-2 artifact (deamino-) MS2
Comments F: ITMS + c ESI d w Full ms2 209.10
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InChI InChI=1S/C12H17O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,6H2,1-4H3/q+1
InChIKey XEDFEMDPNJKTEW-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](CC=1C=C(C(=CC1OC)OC)OC)C
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