ACCESSION: MSBNK-Keio_Univ-KO002461
RECORD_TITLE: 6-Benzylaminopurine; 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 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-56177b73949cf0e41d53
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  44.600 89109.0 2
  55.500 24752.5 1
  59.800 14851.5 1
  65.100 212871.5 5
  68.900 39604.0 1
  70.200 34653.5 1
  74.200 14851.5 1
  77.300 39604.0 1
  78.900 64356.5 2
  81.000 79208.0 2
  82.200 34653.5 1
  85.200 64356.5 2
  86.700 49505.0 1
  91.100 42173309.5 999
  93.100 79208.0 2
  97.300 39604.0 1
  102.700 24752.5 1
  105.100 74257.5 2
  106.900 39604.0 1
  109.400 54455.5 1
  110.000 44554.5 1
  119.000 69307.0 2
  120.200 29703.0 1
  121.300 24752.5 1
  130.200 19802.0 1
  133.900 282178.5 7
  134.900 217822.0 5
  138.300 19802.0 1
  146.300 29703.0 1
  148.200 153465.5 4
  149.000 19802.0 1
  151.900 84158.5 2
  153.300 34653.5 1
  156.900 44554.5 1
  165.300 59406.0 1
  166.200 94059.5 2
//