ACCESSION: MSBNK-Keio_Univ-KO000766
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 214
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-0900000000-56c01857b95c2c352e8f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  67.100 34653.5 3
  68.800 29703.0 2
  80.300 9901.0 1
  92.200 272277.5 22
  105.000 29703.0 2
  106.300 267327.0 21
  106.900 435644.0 35
  117.000 336634.0 27
  118.000 143564.5 11
  119.000 64356.5 5
  130.100 123762.5 10
  132.100 1089110.0 87
  133.200 12559418.5 999
  134.000 7787136.5 619
  142.200 292079.5 23
  143.900 74257.5 6
  146.000 183168.5 15
  158.000 173267.5 14
  158.800 34653.5 3
  160.200 158416.0 13
  168.900 301980.5 24
  170.100 470297.5 37
  171.100 59406.0 5
  172.400 69307.0 6
  172.900 19802.0 2
  183.700 14851.5 1
  186.200 242574.5 19
  195.800 133663.5 11
  196.200 792080.0 63
  198.300 39604.0 3
  214.100 420792.5 33
//