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5-F-AB-PICA artifact (deamino-) MS2
SpectraBase Compound ID C9qVdi5BlTn
InChI InChI=1S/C19H23FN2O2/c1-14(2)17(13-23)21-19(24)16-12-22(11-7-3-6-10-20)18-9-5-4-8-15(16)18/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3/p+1
InChIKey FPWZAFFUEVNHPT-UHFFFAOYSA-O
Mol Weight 331.41 g/mol
Molecular Formula C19H24FN2O2
Exact Mass 331.182181 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Jn73WRjjRYt
Name 5-F-AB-PICA artifact (deamino-) MS2
Comments F: ITMS + c ESI d w Full ms2 331.30
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Formula C19H24FN2O2
InChI InChI=1S/C19H23FN2O2/c1-14(2)17(13-23)21-19(24)16-12-22(11-7-3-6-10-20)18-9-5-4-8-15(16)18/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3/p+1
InChIKey FPWZAFFUEVNHPT-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(C=1C2=C(C=CC=C2)N(C1)CCCCCF)=O)C([C+]=O)C(C)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