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Quetiapine-M (HO-) MS2
SpectraBase Compound ID 5GHu0zatxH1
InChI InChI=1S/4C21H25N3O3S/c25-13-15-27-14-12-23-8-10-24(11-9-23)21-16-4-1-2-7-19(16)28-20-17(22-21)5-3-6-18(20)26;25-13-15-27-14-12-23-8-10-24(11-9-23)21-16-4-1-2-6-18(16)28-19-7-3-5-17(26)20(19)22-21;25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-6-5-16(26)15-18(20)22-21;25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h2*1-7,25-26H,8-15H2;2*1-6,15,25-26H,7-14H2
InChIKey JEPQRKWIXKWENM-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Technique HCD
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Technique HCD
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Technique ITMS
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Technique ITMS
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Technique ITMS
  • Quetiapine-M (HO-sulfate) MS3_1
  • Quetiapine-M (HO-glucuronide) MS3_1
  • Quetiapine-M (HO-) isomer-1
  • Quetiapine-M (HO-) isomer-2
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