MassBank Record: KO001393



 3-Methylguanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001393
RECORD_TITLE: 3-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 M042

CH$NAME: 3-Methylguanine CH$NAME: 2-Amino-3,7-dihydro-3-methyl-6H-purin-6-one CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H7N5O CH$EXACT_MASS: 165.06506 CH$SMILES: CN1C2=C(C(=O)N=C1N)NC=N2 CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12) CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F CH$LINK: PUBCHEM SID:5294
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kf-9000000000-f60ca01e4c5c004b1e2e PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 41.200 287129.0 905 41.900 14851.5 47 54.800 39604.0 125 65.900 316832.0 999 67.100 49505.0 156 79.100 178218.0 562 81.200 29703.0 94 91.900 39604.0 125 94.000 69307.0 219 //