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Fosamprenavir-M MS3_1
SpectraBase Compound ID AcwY9SSZexa
InChI InChI=1S/C21H27N3O4S/c1-16(2)15-24(29(27,28)20-10-8-18(22)9-11-20)13-12-19(23-21(25)26)14-17-6-4-3-5-7-17/h3-12,16,19,23H,13-15,22H2,1-2H3/p+1
InChIKey MQSZRPQYGQYRBW-UHFFFAOYSA-O
Mol Weight 418.53 g/mol
Molecular Formula C21H28N3O4S
Exact Mass 418.180053 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID E19asS9AoeA
Name Fosamprenavir-M MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [100.00-430.00]
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InChI InChI=1S/C21H27N3O4S/c1-16(2)15-24(29(27,28)20-10-8-18(22)9-11-20)13-12-19(23-21(25)26)14-17-6-4-3-5-7-17/h3-12,16,19,23H,13-15,22H2,1-2H3/p+1
InChIKey MQSZRPQYGQYRBW-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(NC([CH+]CN(S(C1=CC=C(C=C1)N)(=O)=O)CC(C)C)CC1=CC=CC=C1)=O
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