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Opipramol-M (di-HO-ring) MS2
SpectraBase Compound ID JPf38EOxChU
InChI InChI=1S/C23H29N3O3/c27-17-16-25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-18(20)6-7-19-21(26)8-9-22(28)23(19)29/h1-2,4-9,27-29H,3,10-17H2
InChIKey JYBBVXPUQOKTHO-UHFFFAOYSA-N
Mol Weight 395.5 g/mol
Molecular Formula C23H29N3O3
Exact Mass 395.220892 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8ovgl26P2G
Name Opipramol-M (di-HO-ring) MS2
Comments F: ITMS + c ESI d w Full ms2 [email protected] [95.00-410.00]
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Formula C23H29N3O3
InChI InChI=1S/C23H29N3O3/c27-17-16-25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-18(20)6-7-19-21(26)8-9-22(28)23(19)29/h1-2,4-9,27-29H,3,10-17H2
InChIKey JYBBVXPUQOKTHO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OCCN1CCN(CCCN2C=3C=CC=CC3C=CC3=C2C=CC(=C3O)O)CC1
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