MassBank Record: KZ000166



 Isopentenyladenosine; GC-EI-TOF; MS; 1 TMS; BP:232 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000166
RECORD_TITLE: Isopentenyladenosine; GC-EI-TOF; MS; 1 TMS; BP:232
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_01425_P000149

CH$NAME: N-6-(delta-2-Isopentenyl)adenosine CH$NAME: Isopentenyladenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H21N5O4 CH$EXACT_MASS: 335.15935 CH$SMILES: CC(C)=CCNc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(CO)1 CH$IUPAC: InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 CH$LINK: CAS 7724-76-7 CH$LINK: INCHIKEY USVMJSALORZVDV-SDBHATRESA-N CH$LINK: COMPTOX DTXSID1057828
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 2553.0 AC$CHROMATOGRAPHY: RETENTION_TIME 1116.16 sec
MS$FOCUSED_ION: BASE_PEAK 232 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-001i-3980000000-8a77d79fb39101eb35b1 PK$NUM_PEAK: 176 PK$PEAK: m/z int. rel.int. 82 43 43 83 34 34 84 394 394 85 135 135 86 43 43 87 14 14 88 11 11 89 6 6 90 5 5 91 14 14 92 63 63 93 96 96 94 60 60 95 55 55 96 32 32 97 28 28 98 36 36 99 108 108 100 40 40 101 156 156 102 18 18 103 9 9 104 8 8 105 29 29 106 31 31 107 35 35 108 56 56 109 43 43 110 27 27 111 71 71 112 15 15 113 12 12 114 3 3 115 5 5 116 2 2 117 6 6 118 13 13 119 128 128 120 50 50 121 39 39 122 27 27 123 62 62 124 23 23 125 16 16 126 14 14 127 2 2 128 1 1 129 1 1 130 3 3 131 11 11 132 26 26 133 30 30 134 34 34 135 65 65 136 47 47 137 28 28 138 45 45 139 12 12 140 5 5 141 1 1 142 3 3 143 2 2 144 7 7 145 9 9 146 13 13 147 12 12 148 28 28 149 18 18 150 44 44 151 31 31 152 20 20 153 6 6 154 2 2 155 1 1 156 2 2 157 3 3 158 13 13 159 54 54 160 105 105 161 68 68 162 26 26 163 11 11 164 57 57 165 107 107 166 75 75 167 13 13 168 4 4 169 1 1 170 1 1 171 12 12 172 17 17 173 15 15 174 12 12 175 47 47 176 25 25 177 20 20 178 14 14 179 22 22 180 27 27 181 7 7 182 2 2 183 1 1 184 2 2 185 40 40 186 31 31 187 13 13 188 49 49 189 10 10 190 10 10 191 39 39 192 468 468 193 87 87 194 23 23 195 3 3 196 1 1 197 1 1 198 1 1 199 1 1 200 8 8 201 4 4 202 35 35 203 10 10 204 5 5 205 7 7 206 88 88 207 154 154 208 34 34 209 8 8 210 1 1 215 1 1 216 18 18 217 10 10 218 6 6 219 7 7 220 46 46 221 9 9 222 2 2 228 1 1 229 1 1 230 3 3 231 21 21 232 999 999 233 252 252 234 70 70 235 10 10 236 1 1 242 1 1 243 12 12 244 13 13 245 27 27 246 13 13 247 31 31 248 10 10 249 3 3 250 1 1 251 1 1 252 1 1 253 1 1 254 1 1 256 1 1 257 22 22 258 13 13 259 28 28 260 461 461 261 96 96 262 26 26 263 4 4 264 2 2 265 1 1 272 2 2 273 1 1 274 37 37 275 151 151 276 33 33 277 8 8 278 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)