MassBank Record: KO008875

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6-Benzylaminopurine; LC-ESI-IT; MS3; m/z: 226/148; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO008875
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-IT; MS3; m/z: 226/148; [M+H]+
DATE: 2011.12.05 (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: KEGG C11263 CH$LINK: PUBCHEM 13440 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630
AC$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 2.23 3 91.2 5.07 8 121.0 19.30 29 122.3 4.69 7 148.0 57.97 88 149.1 661.41 999 166.1 106.26 160 167.1 10.38 16 187.2 1.69 3 //