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Mepirapim-M (nor-N-oxide) MS2
SpectraBase Compound ID 4BY3oA3lKSw
InChI InChI=1S/C18H25N3O2/c1-2-3-6-9-20-14-16(15-7-4-5-8-17(15)20)18(22)19-10-12-21(23)13-11-19/h4-5,7-8,14,23H,2-3,6,9-13H2,1H3
InChIKey SILHEBRWLJAVGL-UHFFFAOYSA-N
Mol Weight 315.42 g/mol
Molecular Formula C18H25N3O2
Exact Mass 315.194677 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2msIafrI5cM
Name Mepirapim-M (nor-N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 316.10
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Formula C18H25N3O2
InChI InChI=1S/C18H25N3O2/c1-2-3-6-9-20-14-16(15-7-4-5-8-17(15)20)18(22)19-10-12-21(23)13-11-19/h4-5,7-8,14,23H,2-3,6,9-13H2,1H3
InChIKey SILHEBRWLJAVGL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES ON1CCN(C(C=2C3=C(C=CC=C3)N(C2)CCCCC)=O)CC1
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