MassBank MassBank Search Contents Download

MassBank Record: KO003416

7-Methylguanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003416
RECORD_TITLE: 7-Methylguanine; 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 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: KEGG C02242
CH$LINK: NIKKAJI J101.566D
CH$LINK: PUBCHEM SID:5305
CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020873

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 50 V

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

PK$SPLASH: splash10-014j-9000000000-6839d2db013069231e1e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  40.900 133663.5 346
  45.100 386139.0 999
  59.200 29703.0 77
  66.900 237624.0 615
  68.300 79208.0 205
  69.300 212871.5 551
  73.000 99010.0 256
  79.300 222772.5 576
  84.400 59406.0 154
  93.800 39604.0 102
  106.300 29703.0 77
  107.300 34653.5 90
  124.300 79208.0 205
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze