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Pergolide TMS
SpectraBase Compound ID DP3F0XCBccO
InChI InChI=1S/C22H34N2SSi/c1-6-10-23-13-16(15-25-2)11-19-18-8-7-9-20-22(18)17(12-21(19)23)14-24(20)26(3,4)5/h7-9,14,16,19,21H,6,10-13,15H2,1-5H3
InChIKey VJZBDPMYKNXGOW-UHFFFAOYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C22H34N2SSi
Exact Mass 386.221197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uhl2EubcO
Name Pergolide TMS
Classification Antiparkinsonian
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Exact Mass 386.221196812 u
Formula C22H34N2SSi
InChI InChI=1S/C22H34N2SSi/c1-6-10-23-13-16(15-25-2)11-19-18-8-7-9-20-22(18)17(12-21(19)23)14-24(20)26(3,4)5/h7-9,14,16,19,21H,6,10-13,15H2,1-5H3
InChIKey VJZBDPMYKNXGOW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.673 g/mol
SMILES CCCN1C2Cc3c[n](c4c3c(C2CC(CSC)C1)ccc4)[Si](C)(C)C
SPLASH splash10-000i-5469000000-17c366fd0b4d2baafabe
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_5857