MassBank Record: KO000339



 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000339
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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-8a68b4bbc9e5d341c542 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 59.100 59406.0 4 59.400 29703.0 2 74.400 9901.0 1 78.700 59406.0 4 79.100 163366.5 12 90.300 29703.0 2 96.700 14851.5 1 105.000 39604.0 3 106.100 1554457.0 112 117.300 658416.5 47 118.200 39604.0 3 119.100 128713.0 9 132.100 5133668.5 370 133.000 13856449.5 999 146.300 34653.5 2 207.100 108911.0 8 222.600 24752.5 2 224.500 44554.5 3 //