ACCESSION: MSBNK-Keio_Univ-KO002460
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:30 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 B015

CH$NAME: 6-Benzylaminopurine
CH$NAME: N-Benzyladenine
CH$NAME: N6-Benzyladenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁N₅
CH$EXACT_MASS: 225.10145
CH$SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
CH$LINK: CAS 1214-39-7
CH$LINK: KEGG C11263
CH$LINK: NIKKAJI J1.764G
CH$LINK: PUBCHEM SID:13440
CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7032630

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 226
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-f523baaa0e67f3b2d3ce
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  49.900 138614.0 3
  55.000 19802.0 1
  58.000 19802.0 1
  65.300 14851.5 1
  70.700 54455.5 1
  72.000 39604.0 1
  75.100 34653.5 1
  78.800 29703.0 1
  80.800 84158.5 2
  84.300 29703.0 1
  91.100 49851535.0 999
  93.300 99010.0 2
  95.300 49505.0 1
  96.900 39604.0 1
  99.000 29703.0 1
  105.400 59406.0 1
  106.100 34653.5 1
  107.200 99010.0 2
  109.200 128713.0 3
  110.800 29703.0 1
  114.200 29703.0 1
  119.900 34653.5 1
  120.800 69307.0 1
  130.000 54455.5 1
  133.000 34653.5 1
  134.200 460396.5 9
  135.000 193069.5 4
  144.800 24752.5 1
  148.000 514852.0 10
  152.300 405941.0 8
  156.900 44554.5 1
  181.000 74257.5 1
  184.200 113861.5 2
  191.200 153465.5 3
  209.400 440594.5 9
  226.400 4450499.5 89
//