MassBank Record: KO001392



 3-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: KO001392
RECORD_TITLE: 3-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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9200000000-f270ece6f4adfadf299b PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 41.000 336634.0 755 55.400 29703.0 67 66.200 282178.5 633 67.200 103960.5 233 78.800 400990.5 899 81.000 89109.0 200 92.200 133663.5 300 94.200 445545.0 999 106.200 103960.5 233 106.900 24752.5 56 107.400 34653.5 78 119.600 19802.0 44 122.200 262376.5 588 //