MassBank Record: KO008875

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6-Benzylaminopurine; LC-ESI-IT; MS3; m/z: 226/148; [M+H]+

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

ACCESSION: KO008875
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-IT; MS3; m/z: 226/148; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B015
COMMENT: [MS2] KO008874

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: PUBCHEM 13440

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE: MS3
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 226/148
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-0900000000-201d40efce8eb3fdfa82
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  69.2 2.2300000190734863 3.0
  91.2 5.070000171661377 8.0
  121.0 19.299999237060547 29.0
  122.3 4.690000057220459 7.0
  148.0 57.970001220703125 88.0
  149.1 661.4099731445312 999.0
  166.1 106.26000213623047 160.0
  167.1 10.380000114440918 16.0
  187.2 1.690000057220459 3.0
//