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Bortezomib artifact-2 (-HB(OH)2)
SpectraBase Compound ID CgpiEudes0c
InChI InChI=1S/C19H22N4O2/c1-14(2)8-9-22-18(24)16(12-15-6-4-3-5-7-15)23-19(25)17-13-20-10-11-21-17/h3-11,13-14,16H,12H2,1-2H3,(H,22,24)(H,23,25)/b9-8+
InChIKey ISSYHCZWYPLNBR-CMDGGOBGSA-N
Mol Weight 338.41 g/mol
Molecular Formula C19H22N4O2
Exact Mass 338.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3agapzP1Dk
Name Bortezomib artifact-4
Classification Cytostatic
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Exact Mass 338.174275962 u
Formula C19H22N4O2
InChI InChI=1S/C19H22N4O2/c1-14(2)8-9-22-18(24)16(12-15-6-4-3-5-7-15)23-19(25)17-13-20-10-11-21-17/h3-11,13-14,16H,12H2,1-2H3,(H,22,24)(H,23,25)/b9-8+
InChIKey ISSYHCZWYPLNBR-CMDGGOBGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 338.411 g/mol
SMILES c1c(CC(NC(c2nccnc2)=O)C(N\C=C\C(C)C)=O)cccc1
SPLASH splash10-003r-9860000000-b5af58df9a5181b0bfa4
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_8285