MassBank Record: PB003741



 Harmane; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB003741
RECORD_TITLE: Harmane; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2961
COMMENT: CONFIDENCE: confident structure

CH$NAME: Harmane CH$NAME: 1-methyl-9H-pyrido[3,4-b]indole CH$COMPOUND_CLASS: Natural Product; ?-Carboline Alkaloids CH$FORMULA: C12H10N2 CH$EXACT_MASS: 182.08440 CH$SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23 CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5281404
AC$INSTRUMENT: TSQ 7000 AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-fbe37bd173c6820a5fbf PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 63.000 10.509 0 65.000 34.680 2 77.000 13.474 0 89.000 118.940 10 90.000 10.030 0 91.000 17.152 0 113.000 10.423 0 114.000 90.389 8 115.000 10000.000 999 116.000 177.818 16 117.000 39.319 2 127.000 75.746 6 128.000 245.949 23 129.000 217.264 20 130.000 23.967 1 139.000 42.027 3 140.000 364.998 35 141.000 316.637 30 142.000 664.309 65 143.000 20.983 1 154.000 237.981 22 155.000 138.888 12 156.000 120.619 11 166.000 131.318 12 167.000 338.260 32 168.000 1489.526 147 181.000 359.278 34 182.000 992.715 98 183.000 3448.171 343 //