ACCESSION: MSBNK-Keio_Univ-KO002891
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F014

CH$NAME: 6-Furfurylaminopurine
CH$NAME: 6-Furfuryladenine
CH$NAME: Kinetin
CH$COMPOUND_CLASS: N/A
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$LINK: CAS 525-79-1
CH$LINK: KEGG C08272
CH$LINK: NIKKAJI J6.656G
CH$LINK: PUBCHEM SID:10471
CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9035175

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 216
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9100000000-f788a5e19f6a3220a46e
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  36.200 14851.5 1
  43.100 54455.5 2
  53.100 108911.0 3
  55.000 84158.5 3
  57.400 133663.5 4
  67.000 39604.0 1
  69.100 232673.5 7
  70.900 49505.0 2
  71.400 29703.0 1
  72.100 29703.0 1
  73.300 29703.0 1
  78.800 39604.0 1
  81.000 31901022.0 999
  83.300 227723.0 7
  85.200 49505.0 2
  91.300 297030.0 9
  92.900 44554.5 1
  94.800 64356.5 2
  97.000 54455.5 2
  105.100 277228.0 9
  107.000 49505.0 2
  109.600 74257.5 2
  119.400 44554.5 1
  121.300 113861.5 4
  122.900 69307.0 2
  124.800 14851.5 1
  128.700 39604.0 1
  129.100 39604.0 1
  134.900 69307.0 2
  136.000 490099.5 15
  136.600 14851.5 1
  139.400 9901.0 1
  143.300 74257.5 2
  144.900 24752.5 1
  148.000 1871289.0 59
  156.400 29703.0 1
  157.200 69307.0 2
  161.300 34653.5 1
  165.500 9901.0 1
  171.200 158416.0 5
  173.100 202970.5 6
  188.400 420792.5 13
  199.500 371287.5 12
  216.400 346535.0 11
//