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Lirioferrine MS3_1
SpectraBase Compound ID 1KVFJZwp7sT
InChI InChI=1S/C19H18O4/c1-5-11-9-17(22-3)19(23-4)18-13(11)7-6-12-8-15(20)16(21-2)10-14(12)18/h6-10H,1,5H2,2-4H3/p+1
InChIKey UFZOKSVJNIPPKI-UHFFFAOYSA-O
Mol Weight 311.36 g/mol
Molecular Formula C19H19O4
Exact Mass 311.128334 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KjRh1aB13o
Name Lirioferrine-M (nor-sulfate) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-325.00]
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InChI InChI=1S/C19H18O4/c1-5-11-9-17(22-3)19(23-4)18-13(11)7-6-12-8-15(20)16(21-2)10-14(12)18/h6-10H,1,5H2,2-4H3/p+1
InChIKey UFZOKSVJNIPPKI-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=2C=CC3=C(C2C=C1OC)C(=C(C=C3C[CH2+])OC)OC
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