MassBank Record: KO000340



 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000340
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:50 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1900000000-3cd72cd7d4abfc7f4c2c PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 58.800 84158.5 16 60.100 54455.5 11 65.500 34653.5 7 65.900 400990.5 78 77.700 49505.0 10 78.900 544555.0 105 90.100 133663.5 26 91.300 29703.0 6 104.700 173267.5 34 106.000 1608912.5 311 116.500 24752.5 5 117.000 702971.0 136 117.500 59406.0 11 119.000 54455.5 11 132.100 5163371.5 999 132.900 3673271.0 711 143.700 24752.5 5 207.100 89109.0 17 //