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Piperacilline TMS
SpectraBase Compound ID ItVALPMWNc0
InChI InChI=1S/C26H35N5O7SSi/c1-26(2)19(24(36)38-40(3,4)5)31-20(33)18(23(31)39-26)28-17(32)11-12-29-13-14-30(22(35)21(29)34)25(37)27-15-16-9-7-6-8-10-16/h6-10,18-19,23H,11-15H2,1-5H3,(H,27,37)(H,28,32)
InChIKey RXCGFDZHGYDGOA-UHFFFAOYSA-N
Mol Weight 589.7 g/mol
Molecular Formula C26H35N5O7SSi
Exact Mass 589.202646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4z0KDof8jFq
Name Piperacilline TMS
Classification Antibiotic
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Exact Mass 589.202646189 u
Formula C26H35N5O7SSi
InChI InChI=1S/C26H35N5O7SSi/c1-26(2)19(24(36)38-40(3,4)5)31-20(33)18(23(31)39-26)28-17(32)11-12-29-13-14-30(22(35)21(29)34)25(37)27-15-16-9-7-6-8-10-16/h6-10,18-19,23H,11-15H2,1-5H3,(H,27,37)(H,28,32)
InChIKey RXCGFDZHGYDGOA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 589.739 g/mol
SMILES c1ccc(CNC(N2C(C(N(CCC(NC3C4N(C3=O)C(C(O[Si](C)(C)C)=O)C(C)(C)S4)=O)CC2)=O)=O)=O)cc1
SPLASH splash10-00di-9632320000-02105c11ec7c50d02a02
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_4617