MassBank Record: KZ000005



 3-Methyladenine; GC-EI-TOF; MS; 1 TMS; BP:206 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000005
RECORD_TITLE: 3-Methyladenine; GC-EI-TOF; MS; 1 TMS; BP:206
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01407_P000033

CH$NAME: 3-Methyladenine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H7N5 CH$EXACT_MASS: 149.07015 CH$SMILES: CN(C=1)C(=N2)C(N=C2)=C(N)N1 CH$IUPAC: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 CH$LINK: CAS 5142-23-4 CH$LINK: KEGG C00913 CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 2522.5 AC$CHROMATOGRAPHY: RETENTION_TIME 1106.11 sec
MS$FOCUSED_ION: BASE_PEAK 206 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-4980000000-d3e94e4150e2b870d9b2 PK$NUM_PEAK: 129 PK$PEAK: m/z int. rel.int. 82 29 29 83 32 32 84 349 349 85 106 106 86 38 38 87 8 8 88 16 16 89 3 3 90 2 2 91 3 3 92 14 14 93 28 28 94 119 119 95 71 71 96 49 49 97 21 21 98 30 30 99 68 68 100 22 22 101 9 9 102 1 1 103 42 42 104 3 3 105 1 1 106 8 8 107 19 19 108 17 17 109 15 15 110 17 17 111 196 196 112 23 23 113 25 25 114 6 6 115 7 7 116 1 1 117 1 1 118 1 1 119 12 12 120 8 8 121 73 73 122 115 115 123 30 30 124 17 17 125 32 32 126 8 8 127 4 4 132 1 1 133 5 5 134 13 13 135 18 18 136 25 25 137 15 15 138 75 75 139 12 12 140 4 4 144 1 1 145 1 1 146 2 2 147 6 6 148 14 14 149 62 62 150 19 19 151 25 25 152 74 74 153 14 14 154 4 4 155 2 2 156 1 1 157 1 1 159 1 1 160 2 2 161 6 6 162 11 11 163 10 10 164 16 16 165 25 25 166 10 10 167 4 4 168 1 1 169 1 1 174 5 5 175 6 6 176 120 120 177 26 26 178 22 22 179 273 273 180 62 62 181 15 15 182 2 2 183 1 1 186 1 1 187 1 1 188 3 3 189 11 11 190 32 32 191 14 14 192 8 8 193 12 12 194 19 19 195 5 5 196 2 2 197 1 1 198 2 2 199 1 1 200 1 1 203 1 1 204 13 13 205 114 114 206 999 999 207 168 168 208 48 48 209 5 5 210 1 1 211 1 1 212 1 1 213 2 2 214 1 1 215 1 1 216 1 1 217 1 1 219 1 1 220 48 48 221 339 339 222 60 60 223 16 16 224 3 3 225 1 1 310 1 1 406 1 1 //

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