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MassBank Record: KO001446

6-Methylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO001446
RECORD_TITLE: 6-Methylaminopurine; 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 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$LINK: KEGG C08434
CH$LINK: NIKKAJI J128.125I
CH$LINK: PUBCHEM SID:10629
CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020857

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

PK$SPLASH: splash10-00lr-6900000000-a9aecd02881bc63a44cf
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  26.000 9901.0 5
  41.400 39604.0 21
  63.800 247525.0 130
  65.600 193069.5 101
  66.100 1089110.0 572
  78.100 64356.5 34
  78.900 227723.0 120
  90.000 559406.5 294
  91.100 64356.5 34
  92.000 123762.5 65
  105.000 183168.5 96
  105.900 500000.5 263
  117.000 603961.0 317
  132.100 1900992.0 999
  133.000 485149.0 255
  144.300 54455.5 29
//

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