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Glisoxepide
SpectraBase Compound ID 7NvkjM9mX1C
InChI InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)
InChIKey ZKUDBRCEOBOWLF-UHFFFAOYSA-N
Mol Weight 449.53 g/mol
Molecular Formula C20H27N5O5S
Exact Mass 449.17329 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LhXuehCnEOb
Name Glisoxepide_neg
CAS Registry Number 25046-79-1
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-475.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H27N5O5S
InChI InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)
InChIKey ZKUDBRCEOBOWLF-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES N(N1CCCCCC1)C(NS(C1=CC=C(CCNC(C=2C=C(ON2)C)=O)C=C1)(=O)=O)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge -1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD