MassBank Record: PB005862



 Kinetin; 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: PB005862
RECORD_TITLE: Kinetin; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014j-0950000000-23164321e4dbcf56bfc8 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 119.034 110.110 10 121.050 80.080 7 135.066 70.070 6 136.060 1041.041 103 137.059 60.060 5 144.053 10.010 0 146.054 20.020 1 147.066 30.030 2 147.931 10.010 0 147.983 10.010 0 148.060 10000.000 999 149.062 750.751 74 159.063 20.020 1 160.062 20.020 1 161.080 90.090 8 162.076 70.070 6 171.065 200.200 19 172.063 50.050 4 173.068 1271.271 126 174.070 150.150 14 175.065 10.010 0 187.081 10.010 0 188.091 3053.053 304 189.093 330.330 32 198.075 250.250 24 199.067 40.040 3 201.061 40.040 3 215.857 10.010 0 215.963 10.010 0 216.086 9519.520 950 217.088 1081.081 107 218.094 20.020 1 //