MassBank Record: PB003761



 Norharmane; 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: PB003761
RECORD_TITLE: Norharmane; 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: 2981
COMMENT: CONFIDENCE: confident structure

CH$NAME: Norharmane CH$NAME: 9H-pyrido[3,4-b]indole CH$COMPOUND_CLASS: Natural Product; ?-Carboline Alkaloids CH$FORMULA: C11H8N2 CH$EXACT_MASS: 168.06875 CH$SMILES: C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 CH$IUPAC: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H CH$LINK: INCHIKEY AIFRHYZBTHREPW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:64961
AC$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$SPLASH: splash10-014i-0900000000-5f1c82b770634430089f PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 63.000 22.314 1 65.000 61.045 5 75.000 11.080 0 77.000 41.148 3 78.000 15.383 0 89.000 218.054 20 90.000 25.166 1 91.000 45.431 3 101.000 31.073 2 102.000 20.763 1 113.000 22.770 1 114.000 133.842 12 115.000 10000.000 999 116.000 361.912 35 117.000 64.562 5 125.000 11.612 0 128.000 60.498 5 129.000 66.029 5 140.000 466.949 45 141.000 510.308 50 142.000 790.076 78 143.000 22.792 1 152.000 42.810 3 153.000 15.851 0 166.000 15.361 0 167.000 210.209 20 168.000 2266.734 225 169.000 3924.208 391 170.000 65.214 5 //