MassBank Record: KO001390



 3-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: KO001390
RECORD_TITLE: 3-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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0229-0900000000-af571ef129b2b3b3df91 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 40.900 34653.5 6 78.900 49505.0 9 93.900 212871.5 39 96.000 133663.5 25 96.500 84158.5 16 106.300 44554.5 8 106.900 69307.0 13 118.400 79208.0 15 121.000 336634.0 62 122.300 5391094.5 999 132.600 34653.5 6 135.000 178218.0 33 135.800 24752.5 5 140.300 69307.0 13 148.600 74257.5 14 164.000 3861390.0 716 //