MassBank Record: PB005781



 Harmane; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005781
RECORD_TITLE: Harmane; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2281
COMMENT: CONFIDENCE: confident structure

CH$NAME: Harmane CH$NAME: 1-methyl-9H-pyrido[3,4-b]indole CH$COMPOUND_CLASS: Natural Product CH$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: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-e1101c121f5e3a8ec067 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 115.052 70.070 6 116.055 10.010 0 129.068 10.010 0 142.063 100.100 9 156.078 20.020 1 166.062 10.010 0 167.062 20.020 1 168.066 130.130 12 169.068 10.010 0 182.082 90.090 8 182.947 10.010 0 183.089 10000.000 999 184.092 930.931 92 185.083 10.010 0 //