MassBank Record: KO003412

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7-Methylguanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003412
RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:10 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 M043

CH$NAME: 7-Methylguanine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N5O
CH$EXACT_MASS: 165.06506
CH$SMILES: NC(N1)=Nc(n2)c(n(C)c2)C(=O)1
CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
CH$LINK: CAS 578-76-7
CH$LINK: COMPTOX DTXSID9020873
CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N
CH$LINK: KEGG C02242
CH$LINK: NIKKAJI J101.566D
CH$LINK: PUBCHEM SID:5305

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 166
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00kb-1900000000-61125a8802327f88d32a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  59.6 69307.0 3.0
  73.0 6366340.0 239.0
  74.9 34653.5 1.0
  82.9 9901.0 1.0
  87.2 49505.0 2.0
  91.1 54455.5 2.0
  102.7 24752.5 1.0
  105.1 589110.0 22.0
  106.1 717822.0 27.0
  107.2 1014850.0 38.0
  115.2 24752.5 1.0
  117.3 930694.0 35.0
  120.0 94059.5 4.0
  124.0 49505.0 2.0
  130.4 475248.0 18.0
  130.9 2920800.0 110.0
  134.0 138614.0 5.0
  149.3 2.65693E7 999.0
  166.3 1.9901E7 748.0
//