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Midazolam-M (di-HO-glucuronide) MS3_2
SpectraBase Compound ID ChcWYOBTdpg
InChI InChI=1S/C18H12ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-9,24H,10H2/q+1
InChIKey HVGYUGYLLFCJEZ-UHFFFAOYSA-N
Mol Weight 340.77 g/mol
Molecular Formula C18H12ClFN3O
Exact Mass 340.065293 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7UfRvxB4Yy
Name Midazolam-M (di-HO-glucuronide) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-355.00]
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InChI InChI=1S/C18H12ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-9,24H,10H2/q+1
InChIKey HVGYUGYLLFCJEZ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OCC=1N2C([CH+]N=C(C=3C2=CC=C(C3)Cl)C=2C(F)=CC=CC2)=CN1
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 ms3
Technique ITMS