ACCESSION: MSBNK-Keio_Univ-KO002892
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-9000000000-7de17409d6536653c15b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  43.200 54455.5 2
  53.100 990100.0 45
  55.100 113861.5 5
  57.100 64356.5 3
  67.200 49505.0 2
  68.900 163366.5 7
  71.200 49505.0 2
  72.200 34653.5 2
  76.600 24752.5 1
  80.900 21891111.0 999
  83.000 74257.5 3
  83.400 54455.5 2
  86.800 19802.0 1
  91.200 94059.5 4
  93.200 34653.5 2
  96.900 24752.5 1
  97.900 19802.0 1
  105.100 118812.0 5
  110.700 19802.0 1
  119.400 351485.5 16
  121.200 64356.5 3
  123.200 24752.5 1
  134.900 44554.5 2
  136.000 227723.0 10
  141.900 44554.5 2
  143.600 14851.5 1
  147.200 14851.5 1
  148.000 376238.0 17
  155.500 34653.5 2
  161.500 19802.0 1
//