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MAM-2201-M (HO-) isomer 1 MS2
SpectraBase Compound ID 1SMyUxJKwKN
InChI InChI=1S/C25H24FNO2/c26-14-6-1-7-15-27-16-23(21-10-4-5-11-24(21)27)25(29)22-13-12-18(17-28)19-8-2-3-9-20(19)22/h2-5,8-13,16,28H,1,6-7,14-15,17H2
InChIKey RUTKJNKIMVYXCP-UHFFFAOYSA-N
Mol Weight 389.47 g/mol
Molecular Formula C25H24FNO2
Exact Mass 389.179107 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9URImjTYEi
Name MAM-2201-M (HO-) isomer 1 MS2
Comments F: ITMS + c ESI d w Full ms2 390.30
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Formula C25H24FNO2
InChI InChI=1S/C25H24FNO2/c26-14-6-1-7-15-27-16-23(21-10-4-5-11-24(21)27)25(29)22-13-12-18(17-28)19-8-2-3-9-20(19)22/h2-5,8-13,16,28H,1,6-7,14-15,17H2
InChIKey RUTKJNKIMVYXCP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OCC1=C2C(=C(C=C1)C(C=1C3=C(C=CC=C3)N(C1)CCCCCF)=O)C=CC=C2
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