Metabolite 6-OH-harmaline

Name

6-OH-harmaline

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

7PQ075MCA6

CAS number

Not Available

Weight

Average: 198.2206
Monoisotopic: 198.079312952

Chemical Formula

C₁₂H₁₀N₂O

InChI Key

SATMZMMKDDTOSQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3

IUPAC Name

1-methyl-9H-pyrido[3,4-b]indol-7-ol

SMILES

[H]N1C2=C(C([H])=C([H])C(O)=C2[H])C2=C1C(=NC([H])=C2[H])C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0002-0900000000-b59bea685cca31080e7b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-21b6acf3fef5c18aea72
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-6b4a8e2a3943fe752400
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-910ce80cb1f832d116b5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-5bc720e2e09788d93166
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-016r-0900000000-a37ea20e6224b9d94691
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-067i-0900000000-a32a692c158273c3b662

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	148.9673832	predicted	DarkChem Lite v0.1.0
[M-H]-	148.9804832	predicted	DarkChem Lite v0.1.0
[M-H]-	138.72603	predicted	DeepCCS 1.0 (2019)
[M+H]+	149.5145832	predicted	DarkChem Lite v0.1.0
[M+H]+	149.6267832	predicted	DarkChem Lite v0.1.0
[M+H]+	141.1216	predicted	DeepCCS 1.0 (2019)
[M+Na]+	148.9743832	predicted	DarkChem Lite v0.1.0
[M+Na]+	149.1086832	predicted	DarkChem Lite v0.1.0
[M+Na]+	147.6654	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties