ACCESSION: MSBNK-Keio_Univ-KO002890
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-00lr-9470000000-5aff4f962e7ab520661d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  56.900 24752.5 1
  69.200 89109.0 4
  70.900 74257.5 4
  81.000 20851506.0 999
  83.000 222772.5 11
  85.000 54455.5 3
  91.200 217822.0 10
  95.200 74257.5 4
  97.200 148515.0 7
  98.900 69307.0 3
  104.900 351485.5 17
  106.800 54455.5 3
  110.400 29703.0 1
  111.200 113861.5 5
  112.300 19802.0 1
  113.900 19802.0 1
  120.900 39604.0 2
  123.300 133663.5 6
  125.200 39604.0 2
  128.800 19802.0 1
  129.200 19802.0 1
  131.300 9901.0 1
  135.200 108911.0 5
  136.300 321782.5 15
  137.800 44554.5 2
  138.900 94059.5 5
  142.900 59406.0 3
  145.000 29703.0 1
  148.100 4945549.5 237
  153.700 14851.5 1
  157.200 168317.0 8
  162.900 54455.5 3
  163.300 163366.5 8
  169.100 24752.5 1
  171.200 178218.0 9
  173.200 420792.5 20
  181.200 267327.0 13
  188.400 1163367.5 56
  198.000 163366.5 8
  199.500 1341585.5 64
  216.200 18910910.0 906
//