ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:3830
CH$LINK: COMPTOX DTXSID9035175

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
//