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Raloxifene MS3_1
SpectraBase Compound ID K5zpM9CR5Rl
InChI InChI=1S/C15H8O3S/c16-8-13-12-6-5-11(18)7-14(12)19-15(13)9-1-3-10(17)4-2-9/h1-7H,(H-,16,17,18)/p+1
InChIKey FWIIQGPADYFIKP-UHFFFAOYSA-O
Mol Weight 269.29 g/mol
Molecular Formula C15H9O3S
Exact Mass 269.02724 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3LHJJcISqA7
Name Raloxifene MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00]
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InChI InChI=1S/C15H8O3S/c16-8-13-12-6-5-11(18)7-14(12)19-15(13)9-1-3-10(17)4-2-9/h1-7H,(H-,16,17,18)/p+1
InChIKey FWIIQGPADYFIKP-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC2=C(C(=C(C3=CC=C(C=C3)O)S2)[C+]=O)C=C1
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