ACCESSION: MSBNK-Keio_Univ-KO002893
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-001i-9000000000-350a42e41eabc5508387
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  53.300 1306932.0 169
  55.300 89109.0 12
  65.000 19802.0 3
  68.800 49505.0 6
  77.300 34653.5 4
  79.800 19802.0 3
  81.200 7732681.0 999
  91.300 34653.5 4
  94.000 29703.0 4
  119.000 143564.5 19
  121.000 44554.5 6
//