ACCESSION: MSBNK-Keio_Univ-KO008961
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-IT; MS2; m/z: 216; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

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

PK$SPLASH: splash10-0002-0900000000-60255f48f53b12ccabdb
PK$ANNOTATION: m/z struct. num formula mass
  81.1 1 1 C5H5O 81.03404
  148.1 1 1 C6H6N5 148.06232
  188.1 1 1 C9H10N5 188.09362
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  71.2 60.86 1
  72.2 41.41 1
  77.1 101.12 1
  78.0 66.31 1
  80.1 159.01 1
  81.1 50015.66 99
  85.1 208.39 1
  86.2 25.41 1
  87.1 25.88 1
  89.1 102.25 1
  95.1 146.13 1
  96.1 20.93 1
  97.0 223.83 1
  99.0 157.01 1
  100.0 41.48 1
  102.1 302.99 1
  105.0 61.17 1
  107.0 18.57 1
  109.1 226.12 1
  110.1 154.34 1
  117.0 46.62 1
  118.0 30.07 1
  119.0 52.98 1
  121.0 505.75 1
  123.0 29.43 1
  127.1 312.90 1
  128.1 518.05 1
  129.1 70.24 1
  131.1 119.44 1
  133.2 96.67 1
  134.1 29.15 1
  135.1 73.15 1
  136.0 3678.45 7
  137.0 71.03 1
  139.0 40.46 1
  141.0 190.56 1
  142.0 573.08 1
  143.0 632.92 1
  145.1 199.00 1
  146.0 92.48 1
  147.1 442.29 1
  148.1 504246.58 999
  148.9 381.81 1
  150.2 147.91 1
  151.2 47.29 1
  155.1 159.51 1
  156.2 166.60 1
  156.8 29.86 1
  158.0 694.44 1
  159.1 1832.17 4
  160.0 1948.89 4
  161.0 517.74 1
  162.1 256.14 1
  163.2 136.58 1
  165.1 34.12 1
  166.0 245.73 1
  169.1 220.51 1
  171.1 1134.70 2
  173.1 6080.78 12
  174.1 292.51 1
  180.1 22.36 1
  181.1 260.77 1
  182.2 40.81 1
  184.1 107.51 1
  187.1 526.96 1
  188.1 25789.73 51
  192.7 23.33 1
  197.1 436.03 1
  198.1 2599.99 5
  199.1 1323.24 3
  201.1 73.45 1
  202.2 12.74 1
  216.1 17940.65 36
  217.1 734.29 1
  231.9 103.55 1
  232.9 20.38 1
  236.9 80.27 1
  237.5 46.24 1
  261.2 56.81 1
//