ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:3830
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$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
//