MassBank Record: PB005863



 Kinetin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005863
RECORD_TITLE: Kinetin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.20, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2421
COMMENT: CONFIDENCE: confident structure

CH$NAME: Kinetin CH$NAME: N-(furan-2-ylmethyl)-7H-purin-6-amine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H9N5O CH$EXACT_MASS: 215.08071 CH$SMILES: C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3830
AC$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 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-3bcaa7373b3d41fc3c53 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 119.035 580.581 57 120.041 40.040 3 121.049 380.380 37 122.051 10.010 0 134.065 20.020 1 135.065 320.320 31 136.060 1581.582 157 137.061 100.100 9 144.052 60.060 5 145.048 30.030 2 146.055 90.090 8 147.066 80.080 7 148.060 10000.000 999 148.131 20.020 1 149.062 670.671 66 159.067 50.050 4 160.066 40.040 3 161.080 220.220 21 162.078 130.130 12 171.065 590.591 58 172.061 250.250 24 173.067 1471.471 146 174.071 210.210 20 186.072 10.010 0 187.084 10.010 0 188.091 2102.102 209 189.095 210.210 20 197.067 20.020 1 198.076 240.240 23 199.071 30.030 2 201.063 30.030 2 216.086 1131.131 112 217.088 160.160 15 //