ACCESSION: MSBNK-IPB_Halle-PB005861
RECORD_TITLE: Kinetin; LC-ESI-QTOF; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0290000000-b940cd29b82e850fbde2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  136.060 70.070 6
  148.061 2122.122 211
  149.062 130.130 12
  173.068 140.140 13
  174.072 10.010 0
  188.091 410.410 40
  189.094 30.030 2
  198.076 30.030 2
  216.086 10000.000 999
  217.089 960.961 95
  218.091 30.030 2
//