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Glipizid-M (HO-ring) isomer 1 MS2
SpectraBase Compound ID DcmsSfcKDm6
InChI InChI=1S/C21H27N5O5S/c1-14-12-24-18(13-23-14)20(28)22-11-10-15-6-8-16(9-7-15)32(30,31)26-21(29)25-17-4-2-3-5-19(17)27/h6-9,12-13,17,19,27H,2-5,10-11H2,1H3,(H,22,28)(H2,25,26,29)
InChIKey UTNWNEADPYWCDT-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 HVspMUg8IBa
Name Glipizide-M (HO-ring) isomer-1_neg
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-485.00]
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Formula C21H27N5O5S
InChI InChI=1S/C21H27N5O5S/c1-14-12-24-18(13-23-14)20(28)22-11-10-15-6-8-16(9-7-15)32(30,31)26-21(29)25-17-4-2-3-5-19(17)27/h6-9,12-13,17,19,27H,2-5,10-11H2,1H3,(H,22,28)(H2,25,26,29)
InChIKey UTNWNEADPYWCDT-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES OC1C(CCCC1)NC(NS(C1=CC=C(CCNC(C2=NC=C(N=C2)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