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5-F-THJ-M (di-HO-) MS2

View entire compound with spectra: 1 MS (LC)

5-F-THJ-M (di-HO-) MS2
SpectraBase Compound ID Fx5BSGpXvPl
InChI InChI=1S/12C22H21FN4O3/c23-11-2-1-3-13-27-16-7-4-8-18(29)19(16)21(26-27)22(30)25-15-9-10-17(28)14-6-5-12-24-20(14)15;23-11-2-1-3-13-27-21-15(7-4-8-17(21)29)19(26-27)22(30)25-20-16(28)10-9-14-6-5-12-24-18(14)20;23-11-2-1-3-13-27-15-7-4-8-16(28)18(15)21(26-27)22(30)25-20-17(29)10-9-14-6-5-12-24-19(14)20;23-9-2-1-3-11-27-17-7-4-8-18(29)19(17)21(26-27)22(30)25-16-13-15(28)12-14-6-5-10-24-20(14)16;23-9-2-1-3-11-27-21-16(7-4-8-18(21)29)20(26-27)22(30)25-17-13-15(28)12-14-6-5-10-24-19(14)17;23-11-2-1-3-13-27-21-15(6-4-8-18(21)29)20(26-27)22(30)25-16-9-10-17(28)14-7-5-12-24-19(14)16;23-10-2-1-3-12-27-17-8-7-15(28)13-16(17)20(26-27)22(30)25-21-18(29)9-6-14-5-4-11-24-19(14)21;23-10-2-1-3-12-27-17-13-15(28)7-8-16(17)20(26-27)22(30)25-21-18(29)9-6-14-5-4-11-24-19(14)21;23-10-2-1-3-12-27-18-8-6-14(28)13-16(18)21(26-27)22(30)25-17-7-9-19(29)15-5-4-11-24-20(15)17;23-10-2-1-3-12-27-18-13-14(28)6-7-15(18)21(26-27)22(30)25-17-8-9-19(29)16-5-4-11-24-20(16)17;23-8-2-1-3-10-27-19-13-15(28)6-7-17(19)21(26-27)22(30)25-18-12-16(29)11-14-5-4-9-24-20(14)18;23-8-2-1-3-10-27-19-7-6-15(28)12-17(19)21(26-27)22(30)25-18-13-16(29)11-14-5-4-9-24-20(14)18/h3*4-10,12,28-29H,1-3,11,13H2,(H,25,30);2*4-8,10,12-13,28-29H,1-3,9,11H2,(H,25,30);4-10,12,28-29H,1-3,11,13H2,(H,25,30);4*4-9,11,13,28-29H,1-3,10,12H2,(H,25,30);2*4-7,9,11-13,28-29H,1-3,8,10H2,(H,25,30)
InChIKey DZEXTMCDQCVJTH-UHFFFAOYSA-N
Mol Weight 408.43 g/mol
Molecular Formula C22H21FN4O3
Exact Mass 408.159769 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7y5WSiQT9qE
Name 5-F-THJ-M (di-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 409.30
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C22H21FN4O3
Ion Polarity P
Ionization Type ESI
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 ms2
Technique ITMS