ACCESSION: MSBNK-Keio_Univ-KO002458
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-004i-0090000000-0fd45fd2505a135cfdc9
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  50.200 425743.0 3
  54.200 54455.5 1
  67.900 1227724.0 9
  82.200 3410894.5 26
  86.100 227723.0 2
  91.000 59406.0 1
  92.800 9901.0 1
  99.900 495050.0 4
  105.100 1148516.0 9
  105.800 594060.0 4
  108.100 118812.0 1
  108.700 19802.0 1
  110.800 19802.0 1
  113.400 24752.5 1
  120.600 14851.5 1
  133.100 29703.0 1
  134.000 1599011.5 12
  135.600 103960.5 1
  136.300 99010.0 1
  137.000 34653.5 1
  139.900 24752.5 1
  141.100 39604.0 1
  143.800 29703.0 1
  146.600 29703.0 1
  149.000 54455.5 1
  149.500 59406.0 1
  151.200 44554.5 1
  152.000 539604.5 4
  157.800 44554.5 1
  162.300 29703.0 1
  165.300 168317.0 1
  166.200 356436.0 3
  168.000 29703.0 1
  176.000 19802.0 1
  177.300 79208.0 1
  190.300 39604.0 1
  191.400 410891.5 3
  192.500 89109.0 1
  193.400 277228.0 2
  194.300 1935645.5 15
  207.900 79208.0 1
  209.300 3970301.0 30
  212.000 99010.0 1
  226.200 132193201.5 999
  227.100 9901.0 1
//