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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)

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
CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7032630

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
//

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