MassBank Record: KO002459

Home Search Record Index Data Privacy Imprint

6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002459
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:20 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: COMPTOX DTXSID7032630
CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N
CH$LINK: KEGG C11263
CH$LINK: NIKKAJI J1.764G
CH$LINK: PUBCHEM SID:13440

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 20 V

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

PK$SPLASH: splash10-004i-2090000000-820b2c69e4f3d818f46f
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  50.1 1326730.0 23.0
  63.7 29703.0 1.0
  67.9 74257.5 1.0
  73.0 54455.5 1.0
  73.9 29703.0 1.0
  75.1 34653.5 1.0
  80.9 79208.0 1.0
  82.5 89109.0 2.0
  83.1 44554.5 1.0
  87.2 19802.0 1.0
  89.0 44554.5 1.0
  90.9 1.26782E7 224.0
  94.8 39604.0 1.0
  95.9 39604.0 1.0
  97.1 29703.0 1.0
  98.9 49505.0 1.0
  101.4 14851.5 1.0
  103.0 19802.0 1.0
  105.2 569308.0 10.0
  106.0 361386.0 6.0
  107.4 54455.5 1.0
  111.0 64356.5 1.0
  116.8 34653.5 1.0
  117.5 19802.0 1.0
  119.2 39604.0 1.0
  120.4 49505.0 1.0
  132.9 59406.0 1.0
  133.9 693070.0 12.0
  134.9 59406.0 1.0
  136.2 29703.0 1.0
  137.5 59406.0 1.0
  139.3 24752.5 1.0
  141.3 39604.0 1.0
  144.3 94059.5 2.0
  146.1 59406.0 1.0
  148.1 470298.0 8.0
  149.3 99010.0 2.0
  152.0 698020.0 12.0
  157.1 24752.5 1.0
  165.2 29703.0 1.0
  167.4 24752.5 1.0
  169.1 54455.5 1.0
  173.2 39604.0 1.0
  176.8 39604.0 1.0
  184.1 138614.0 2.0
  191.4 242574.0 4.0
  191.6 74257.5 1.0
  194.2 44554.5 1.0
  199.3 34653.5 1.0
  208.5 29703.0 1.0
  209.2 1386140.0 25.0
  226.2 5.64357E7 999.0
//