Debug Info

object
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_id
:
3OwyTM5NVAm
spectrumID
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3OwyTM5NVAm
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:537531:1
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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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Convolutamine H
SpectraBase Compound ID Hf1Em8tOZgP
InChI InChI=1S/C11H14Br3NO2/c1-15-5-4-6-7(12)8(13)9(14)11(17-3)10(6)16-2/h15H,4-5H2,1-3H3
InChIKey TXBNYKFQXDKTHG-UHFFFAOYSA-N
Mol Weight 431.95 g/mol
Molecular Formula C11H14Br3NO2
Exact Mass 428.857468 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OwyTM5NVAm
Name Convolutamine H
Appearance Pale yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14Br3NO2
InChI InChI=1S/C11H14Br3NO2/c1-15-5-4-6-7(12)8(13)9(14)11(17-3)10(6)16-2/h15H,4-5H2,1-3H3
InChIKey TXBNYKFQXDKTHG-UHFFFAOYSA-N
Instrument Name Kratos Concept ISQ
Ionization Type EI
Literature Reference DOI 10.1021/np010574x
Molecular Weight 431.950 g/mol
Reported Formula C11H14(79)Br3NO2
SMILES N(CCc1c(c(c(c(c1Br)Br)Br)OC)OC)C
SPLASH splash10-0udi-0439000000-4a786a64051d0108d5dd
Source of Spectrum G4-65-940-2
Wiley ID 1881144
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