ACCESSION: MSBNK-Kazusa-KZ000166
RECORD_TITLE: Isopentenyladenosine; GC-EI-TOF; MS; 1 TMS; BP:232
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//