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Glipizid-M (HO-ring) isomer 2 MS2
SpectraBase Compound ID 3TH5Vtp0463
InChI InChI=1S/C21H27N5O5S/c1-14-12-24-17(13-23-14)20(28)22-10-9-15-7-8-19(18(27)11-15)32(30,31)26-21(29)25-16-5-3-2-4-6-16/h7-8,11-13,16,27H,2-6,9-10H2,1H3,(H,22,28)(H2,25,26,29)
InChIKey WWBLRXXOIQUVDE-UHFFFAOYSA-N
Mol Weight 461.54 g/mol
Molecular Formula C21H27N5O5S
Exact Mass 461.17329 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LEnTM9EKZgg
Name Glipizid-M (HO-ring) isomer 2 MS2
Comments F: ITMS + c ESI d w Full ms2 462.10
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Formula C21H27N5O5S
InChI InChI=1S/C21H27N5O5S/c1-14-12-24-17(13-23-14)20(28)22-10-9-15-7-8-19(18(27)11-15)32(30,31)26-21(29)25-16-5-3-2-4-6-16/h7-8,11-13,16,27H,2-6,9-10H2,1H3,(H,22,28)(H2,25,26,29)
InChIKey WWBLRXXOIQUVDE-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C1CCCCC1)C(NS(C1=C(C=C(C=C1)CCNC(C1=NC=C(N=C1)C)=O)O)(=O)=O)=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 ms2
Technique ITMS