ACCESSION: MSBNK-Keio_Univ-KO002889
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-014i-0090000000-39566aaa0d90cfa55b52
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  54.200 183168.5 2
  72.000 202970.5 2
  74.000 19802.0 1
  80.800 262376.5 3
  87.300 29703.0 1
  91.100 123762.5 1
  96.500 19802.0 1
  99.300 69307.0 1
  100.700 19802.0 1
  104.600 24752.5 1
  107.200 24752.5 1
  107.400 19802.0 1
  109.200 24752.5 1
  111.000 99010.0 1
  112.700 24752.5 1
  116.300 19802.0 1
  125.000 44554.5 1
  128.900 9901.0 1
  135.400 39604.0 1
  139.000 232673.5 3
  140.900 24752.5 1
  143.000 39604.0 1
  148.200 1049506.0 12
  152.900 34653.5 1
  153.900 84158.5 1
  156.300 69307.0 1
  157.100 54455.5 1
  158.000 9901.0 1
  161.300 29703.0 1
  167.100 44554.5 1
  169.300 89109.0 1
  173.400 34653.5 1
  175.000 59406.0 1
  181.100 257426.0 3
  184.000 202970.5 2
  188.300 163366.5 2
  198.300 108911.0 1
  199.300 5876243.5 65
  216.200 90529793.5 999
  217.300 24752.5 1
//