ACCESSION: MSBNK-Keio_Univ-KO000768
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

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

PK$SPLASH: splash10-001i-1900000000-ffbe58f385a5d567f860
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  64.700 79208.0 30
  65.200 54455.5 21
  66.000 301980.5 115
  67.100 34653.5 13
  68.800 24752.5 9
  79.100 371287.5 142
  79.900 9901.0 4
  89.900 267327.0 102
  91.900 430693.5 164
  105.100 118812.0 45
  106.100 782179.0 298
  107.000 930694.0 355
  116.900 782179.0 298
  119.200 103960.5 40
  131.900 2618814.5 999
  133.000 1539605.5 587
  134.100 519802.5 198
  142.000 19802.0 8
  142.800 29703.0 11
  144.100 118812.0 45
  145.900 19802.0 8
  183.700 24752.5 9
//