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$EXACT_MASS: 149.07015000000001236912794411182403564453125
CH$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.
  52.200 19802.0 3
  64.800 89109.0 11
  65.100 94059.5 12
  65.800 608911.5 79
  77.700 34653.5 4
  78.100 89109.0 11
  78.900 628713.5 81
  89.900 237624.0 31
  90.300 59406.0 8
  92.100 356436.0 46
  104.900 227723.0 29
  106.200 2099012.0 271
  117.000 1227724.0 158
  119.200 84158.5 11
  131.900 7747532.5 999
  132.900 5420797.5 699
  143.900 113861.5 15
  146.000 178218.0 23
  147.800 212871.5 27
//