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DOM artifact (deamino-) MS2
SpectraBase Compound ID CewXUnMbWOy
InChI InChI=1S/C12H17O2/c1-5-6-10-8-11(13-3)9(2)7-12(10)14-4/h5,7-8H,6H2,1-4H3/q+1
InChIKey FNRVFRGYOBOHJO-UHFFFAOYSA-N
Mol Weight 193.27 g/mol
Molecular Formula C12H17O2
Exact Mass 193.122855 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Cx8XVXfRnzc
Name DOM artifact (deamino-) MS2
Comments F: ITMS + c ESI d w Full ms2 193.10
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InChI InChI=1S/C12H17O2/c1-5-6-10-8-11(13-3)9(2)7-12(10)14-4/h5,7-8H,6H2,1-4H3/q+1
InChIKey FNRVFRGYOBOHJO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](CC1=C(C=C(C(=C1)OC)C)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