ACCESSION: MSBNK-Keio_Univ-KO008962
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-IT; MS3; m/z: 216/148; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F014
COMMENT: [MS2] KO008961

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$LINK: PUBCHEM 10471
CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9035175

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 216/148
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-0900000000-ff8953686e96c0c3d03c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  52.4 4.54 6
  94.1 7.24 9
  105.1 4.38 6
  107.2 9.31 12
  117.0 1.92 2
  119.0 10.15 13
  120.1 4.77 6
  121.1 95.58 120
  122.0 6.22 8
  136.1 11.76 15
  149.0 795.24 999
  166.1 5.77 7
  175.1 1.92 2
  178.1 3.69 5
  187.1 24.98 31
  189.1 9.07 11
  193.0 6.84 9
//