ACCESSION: MSBNK-Keio_Univ-KO000767
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-0900000000-5e1208b8b3b63160e22d
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  42.800 9901.0 1
  64.900 49505.0 7
  66.000 79208.0 12
  67.400 24752.5 4
  78.700 217822.0 33
  81.800 9901.0 1
  90.200 69307.0 10
  90.800 49505.0 7
  92.100 465347.0 70
  105.000 19802.0 3
  105.800 905941.5 136
  107.100 1049506.0 158
  114.800 19802.0 3
  116.900 673268.0 101
  117.500 198020.0 30
  119.100 113861.5 17
  120.800 29703.0 4
  127.800 14851.5 2
  130.300 44554.5 7
  132.000 3059409.0 460
  133.100 6648521.5 999
  134.000 2554458.0 384
  141.900 113861.5 17
  142.800 69307.0 10
  143.800 158416.0 24
  145.700 64356.5 10
  158.300 19802.0 3
  160.100 44554.5 7
  169.200 74257.5 11
  169.700 148515.0 22
  170.500 64356.5 10
  184.300 74257.5 11
  196.200 49505.0 7
//