ACCESSION: MSBNK-Keio_Univ-KO000765
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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

PK$SPLASH: splash10-03e9-0970000000-546f2f834e7b6b7cfe2b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  69.300 14851.5 1
  107.400 34653.5 3
  116.900 39604.0 3
  130.300 148515.0 11
  133.000 6019808.0 450
  134.000 5915847.5 442
  143.300 24752.5 2
  146.100 44554.5 3
  148.000 14851.5 1
  152.700 29703.0 2
  157.600 24752.5 2
  158.100 158416.0 12
  158.500 14851.5 1
  159.900 138614.0 10
  169.400 148515.0 11
  170.200 603961.0 45
  172.100 79208.0 6
  173.400 113861.5 9
  181.400 19802.0 1
  186.100 465347.0 35
  196.100 2495052.0 186
  198.900 39604.0 3
  214.400 13371300.5 999
//