Debug Info

object
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_id
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638ePfZEg3n
spectrumID
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638ePfZEg3n
cost
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specType
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131072
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dbLocation
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WDD1X:6284:1
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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Clomipramine-M (Bisnor -OH) 2AC
SpectraBase Compound ID F2gggQfwLP3
InChI InChI=1S/C21H23ClN2O3/c1-14(25)23-10-3-11-24-20-9-8-19(27-15(2)26)12-17(20)5-4-16-6-7-18(22)13-21(16)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
InChIKey JQOZMNIMZYZONV-UHFFFAOYSA-N
Mol Weight 386.88 g/mol
Molecular Formula C21H23ClN2O3
Exact Mass 386.13972 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 638ePfZEg3n
Name Clomipramine-M (Bisnor -OH) 2AC
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 386.139720306 u
Formula C21H23ClN2O3
InChI InChI=1S/C21H23ClN2O3/c1-14(25)23-10-3-11-24-20-9-8-19(27-15(2)26)12-17(20)5-4-16-6-7-18(22)13-21(16)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
InChIKey JQOZMNIMZYZONV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.879 g/mol
Nominal Mass 386 u
Quality 928
Retention Index 2990
SMILES C=12N(C3=C(CCC2=CC(=CC1)OC(=O)C)C=CC(=C3)Cl)CCCNC(=O)C
SPLASH splash10-0zfr-4694000000-fcccb5b108d120279c21
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(3-(acetylamino)propyl)-7-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl acetate
Technique GC/MS
Wiley ID DD2024_006284
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