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Indinavir MS3_1
SpectraBase Compound ID CRCdpkjepPr
InChI InChI=1S/C27H36N4O3/c1-27(2,3)29-26(34)25-19-30(17-22-10-7-11-28-16-22)12-13-31(25)18-24(33)15-23(20-32)14-21-8-5-4-6-9-21/h4-11,16,23-25,33H,12-15,17-19H2,1-3H3/p+1
InChIKey XJOOUDYMWVDNED-UHFFFAOYSA-O
Mol Weight 465.6 g/mol
Molecular Formula C27H37N4O3
Exact Mass 465.286566 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID mcDC9v4ZRT
Name Indinavir MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C27H36N4O3/c1-27(2,3)29-26(34)25-19-30(17-22-10-7-11-28-16-22)12-13-31(25)18-24(33)15-23(20-32)14-21-8-5-4-6-9-21/h4-11,16,23-25,33H,12-15,17-19H2,1-3H3/p+1
InChIKey XJOOUDYMWVDNED-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(C1N(CC(CC([C+]=O)CC2=CC=CC=C2)O)CCN(C1)CC=1C=CC=NC1)=O)C(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 ms3
Technique ITMS