Harmaline

• Formula: C₁₃H₁₄N₂O
• Molecular weight: 214.2631
• IUPAC Standard InChI: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: RERZNCLIYCABFS-UHFFFAOYSA-N Copy
• CAS Registry Number: 304-21-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-; Harmidine; 3,4-Dihydroharmine; Armalin; Dihydroharmine; Harmine, dihydro-; 1-Methyl-7-methoxy-3,4-dihydro-β-carboline; 3,4-Dihydro-7-methoxy-1-methyl-9H-pyrid[3,4-b]indole; 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido(3,4-b)indole; Harmalol methyl ether; O-Methylharmalol; NSC 407285; 3,4-Dihydro-7-methoxy-1-methyl-9-pyrid(3,4-b)indole; 7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Domelsmith and Houk, 1978
Domelsmith, L.N.; Houk, K.N., Photoelectron spectroscopic studies of hallucinogens: The use of ionization potentials in QSAR, NIDA Res. Monogr., 1978, 22, 423. [all data]

Krishnamurthy and Dogra, 1986
Krishnamurthy, M.; Dogra, S.K., J. Chem. Soc., Perkin Trans. II, 1986, 1247. [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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