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NNEI-M (di-HO-) isomer 2 MS2

View entire compound with spectra: 2 MS (LC)

NNEI-M (di-HO-) isomer 2 MS2
SpectraBase Compound ID 32vLSeviWMj
InChI InChI=1S/16C24H24N2O3/c1-2-3-4-14-26-15-19(18-10-7-13-22(28)23(18)26)24(29)25-20-11-5-9-17-16(20)8-6-12-21(17)27;1-2-3-4-14-26-15-18(23-20(26)11-7-13-22(23)28)24(29)25-19-10-5-9-17-16(19)8-6-12-21(17)27;1-2-3-4-14-26-15-18(17-10-7-13-21(28)23(17)26)24(29)25-19-11-5-8-16-9-6-12-20(27)22(16)19;1-2-3-4-14-26-15-17(23-19(26)11-7-13-21(23)28)24(29)25-18-10-5-8-16-9-6-12-20(27)22(16)18;1-2-3-4-13-26-15-20(18-12-11-16(27)14-22(18)26)24(29)25-21-9-5-8-19-17(21)7-6-10-23(19)28;1-2-3-4-13-26-15-20(19-14-16(27)11-12-22(19)26)24(29)25-21-9-5-8-18-17(21)7-6-10-23(18)28;1-2-3-4-13-26-15-20(19-8-6-10-22(28)23(19)26)24(29)25-21-9-5-7-16-14-17(27)11-12-18(16)21;1-2-3-4-13-26-15-20(18-8-6-10-22(28)23(18)26)24(29)25-21-9-5-7-16-11-12-17(27)14-19(16)21;1-2-3-4-13-26-15-19(18-14-17(27)11-12-21(18)26)24(29)25-20-9-5-7-16-8-6-10-22(28)23(16)20;1-2-3-4-13-26-15-19(18-12-11-17(27)14-21(18)26)24(29)25-20-9-5-7-16-8-6-10-22(28)23(16)20;1-2-3-4-13-26-15-19(23-21(26)9-6-10-22(23)28)24(29)25-20-8-5-7-16-14-17(27)11-12-18(16)20;1-2-3-4-13-26-15-19(23-21(26)9-6-10-22(23)28)24(29)25-20-8-5-7-16-11-12-17(27)14-18(16)20;1-2-3-4-12-26-15-21(20-14-18(28)9-11-23(20)26)24(29)25-22-7-5-6-16-13-17(27)8-10-19(16)22;1-2-3-4-12-26-15-21(20-11-9-18(28)14-23(20)26)24(29)25-22-7-5-6-16-13-17(27)8-10-19(16)22;1-2-3-4-12-26-15-21(20-14-18(28)10-11-23(20)26)24(29)25-22-7-5-6-16-8-9-17(27)13-19(16)22;1-2-3-4-12-26-15-21(19-11-10-18(28)14-23(19)26)24(29)25-22-7-5-6-16-8-9-17(27)13-20(16)22/h4*5-13,15,27-28H,2-4,14H2,1H3,(H,25,29);8*5-12,14-15,27-28H,2-4,13H2,1H3,(H,25,29);4*5-11,13-15,27-28H,2-4,12H2,1H3,(H,25,29)
InChIKey GSFLLTSGDBENMV-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C24H24N2O3
Exact Mass 388.178693 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5XnkgHNqfuy
Name NNEI-M (di-HO-) isomer 4 MS2
Comments F: ITMS + c ESI d w Full ms2 389.30
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C24H24N2O3
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