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MOPPP MS3_1
SpectraBase Compound ID 7n4hZHo009B
InChI InChI=1S/C10H11O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7H,1-2H3/q+1
InChIKey JCBSNCXHQQJIMU-UHFFFAOYSA-N
Mol Weight 163.2 g/mol
Molecular Formula C10H11O2
Exact Mass 163.075905 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DWHb7d9Z7KA
Name MOPPP MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-175.00]
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InChI InChI=1S/C10H11O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7H,1-2H3/q+1
InChIKey JCBSNCXHQQJIMU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](C(C1=CC=C(C=C1)OC)=O)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 ms3
Technique ITMS