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Budesonid MS3_1
SpectraBase Compound ID 1CXn16VE3oZ
InChI InChI=1S/C21H25O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,8-10,15,17-19,24H,1,4-5,7,11H2,2-3H3/q+1
InChIKey UZVRTRWERSYGMI-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C21H25O3
Exact Mass 325.18037 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FnCxHKTlBUA
Name Prednisolone MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00]
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InChI InChI=1S/C21H25O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,8-10,15,17-19,24H,1,4-5,7,11H2,2-3H3/q+1
InChIKey UZVRTRWERSYGMI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1CC2(C(=CCC2C2C1C1(C(CC2)=CC(C=C1)=O)C)C(=O)[CH2+])C
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS