MassBank Record: KO001397



 7-Methylguanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001397
RECORD_TITLE: 7-Methylguanine; 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 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
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 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-2900000000-8bc29ce14fc996e59b37 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 42.200 183168.5 164 66.300 54455.5 49 67.400 29703.0 27 79.200 39604.0 36 106.000 1113862.5 999 121.000 14851.5 13 //