MassBank Record: KO001445

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6-Methylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001445
RECORD_TITLE: 6-Methylaminopurine; 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 M072

CH$NAME: 6-Methylaminopurine
CH$NAME: N6-Methyladenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N5
CH$EXACT_MASS: 149.07015
CH$SMILES: CNC1=NC=NC2=C1NC=N2
CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
CH$LINK: CAS 443-72-1
CH$LINK: COMPTOX DTXSID1020857
CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N
CH$LINK: KEGG C08434
CH$LINK: NIKKAJI J128.125I
CH$LINK: PUBCHEM SID:10629

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$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-1900000000-7a5ba4a964d60f60ecb0
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  52.2 19802.0 3.0
  64.8 89109.0 11.0
  65.1 94059.5 12.0
  65.8 608912.0 79.0
  77.7 34653.5 4.0
  78.1 89109.0 11.0
  78.9 628714.0 81.0
  89.9 237624.0 31.0
  90.3 59406.0 8.0
  92.1 356436.0 46.0
  104.9 227723.0 29.0
  106.2 2099010.0 271.0
  117.0 1227720.0 158.0
  119.2 84158.5 11.0
  131.9 7747530.0 999.0
  132.9 5420800.0 699.0
  143.9 113862.0 15.0
  146.0 178218.0 23.0
  147.8 212872.0 27.0
//