MassBank Record: KZ000096



 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: KZ000096
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_05392_P000031

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 1103.29 sec
MS$FOCUSED_ION: BASE_PEAK 206 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-3890000000-235f39119df7c967e9ba PK$NUM_PEAK: 108 PK$PEAK: m/z int. rel.int. 82 17 17 83 21 21 84 237 237 85 75 75 86 28 28 87 6 6 88 11 11 89 2 2 91 3 3 92 11 11 93 23 23 94 110 110 95 55 55 96 38 38 97 17 17 98 24 24 99 61 61 100 20 20 101 6 6 102 1 1 103 31 31 104 1 1 105 1 1 106 6 6 107 14 14 108 13 13 109 13 13 110 14 14 111 172 172 112 21 21 113 22 22 114 5 5 115 6 6 119 8 8 120 6 6 121 69 69 122 105 105 123 25 25 124 15 15 125 29 29 126 6 6 127 3 3 132 1 1 133 5 5 134 10 10 135 14 14 136 22 22 137 13 13 138 73 73 139 10 10 140 4 4 147 5 5 148 14 14 149 56 56 150 17 17 151 24 24 152 73 73 153 12 12 154 4 4 155 1 1 160 2 2 161 5 5 162 10 10 163 8 8 164 15 15 165 23 23 166 8 8 167 3 3 168 1 1 174 3 3 175 5 5 176 124 124 177 24 24 178 21 21 179 289 289 180 52 52 181 14 14 182 1 1 187 1 1 188 1 1 189 9 9 190 30 30 191 13 13 192 5 5 193 11 11 194 17 17 195 4 4 196 1 1 197 1 1 199 1 1 203 1 1 204 13 13 205 123 123 206 999 999 207 169 169 208 47 47 209 5 5 212 1 1 213 1 1 214 1 1 215 1 1 216 1 1 219 1 1 220 51 51 221 356 356 222 60 60 223 16 16 224 2 2 //

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