MassBank Record: KO001395



 7-Methylguanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001395
RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-2105f1b548050728fb41 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 41.900 59406.0 17 91.600 19802.0 6 94.500 19802.0 6 105.900 242574.5 69 117.900 19802.0 6 119.000 64356.5 18 121.000 653466.0 187 121.800 74257.5 21 135.900 34653.5 10 145.800 34653.5 10 146.900 400990.5 115 149.300 400990.5 115 164.000 3490102.5 999 //