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2C-P-M (HO-) isomer 2 MS3_2
SpectraBase Compound ID CEz1ZUCSuf8
InChI InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3/p+1
InChIKey FRYMRMPLKQWKEP-UHFFFAOYSA-O
Mol Weight 179.24 g/mol
Molecular Formula C11H15O2
Exact Mass 179.107205 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AAIIj7t4YS
Name 2C-P-M (HO-) isomer 2 MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00]
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InChI InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3/p+1
InChIKey FRYMRMPLKQWKEP-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [OH+](C1=CC=C(C(=C1)CC=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS