ACCESSION: MSBNK-RIKEN-PR010204
RECORD_TITLE: Isopentenyladenosine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: N-6-(delta-2-Isopentenyl)adenosinehemihydrate
CH$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 33156-15-9
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$CHROMATOGRAPHY: RETENTION_INDEX 2962.2
AC$CHROMATOGRAPHY: RETENTION_TIME 685.84 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C24H45N5O4Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 551.27793
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9740000000-fef11b9cca0d66b260ec
PK$NUM_PEAK: 213
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 6 6
  62 1 1
  63 1 1
  64 1 1
  65 7 7
  66 10 10
  67 22 22
  68 1 1
  69 21 21
  70 10 10
  71 5 5
  72 17 17
  73 999 999
  74 90 90
  75 55 55
  76 5 5
  77 7 7
  78 2 2
  79 5 5
  80 5 5
  81 7 7
  82 4 4
  83 3 3
  84 18 18
  85 7 7
  86 2 2
  87 5 5
  88 2 2
  89 13 13
  90 1 1
  91 2 2
  92 6 6
  93 9 9
  94 7 7
  95 3 3
  96 1 1
  97 5 5
  98 2 2
  99 9 9
  100 2 2
  101 23 23
  102 4 4
  103 140 140
  104 15 15
  105 10 10
  106 4 4
  107 3 3
  108 15 15
  109 4 4
  110 1 1
  111 6 6
  112 1 1
  113 9 9
  114 2 2
  115 27 27
  116 10 10
  117 24 24
  118 5 5
  119 25 25
  120 10 10
  121 7 7
  122 1 1
  123 1 1
  125 2 2
  126 1 1
  127 5 5
  128 1 1
  129 35 35
  130 5 5
  131 18 18
  132 6 6
  133 34 34
  134 9 9
  135 42 42
  136 30 30
  137 3 3
  138 1 1
  140 1 1
  141 4 4
  142 4 4
  143 15 15
  144 4 4
  145 8 8
  146 5 5
  147 96 96
  148 28 28
  149 14 14
  150 3 3
  151 2 2
  152 1 1
  153 4 4
  154 1 1
  155 1 1
  156 1 1
  157 8 8
  158 4 4
  159 9 9
  160 159 159
  161 22 22
  162 4 4
  163 2 2
  164 21 21
  165 4 4
  166 1 1
  167 1 1
  169 20 20
  170 3 3
  171 5 5
  172 4 4
  173 6 6
  174 5 5
  175 8 8
  176 5 5
  177 2 2
  178 1 1
  179 1 1
  180 1 1
  185 15 15
  186 8 8
  187 6 6
  188 58 58
  189 18 18
  190 4 4
  191 6 6
  192 9 9
  193 2 2
  194 1 1
  198 1 1
  200 2 2
  201 3 3
  202 65 65
  203 89 89
  204 39 39
  205 6 6
  206 8 8
  207 4 4
  208 5 5
  209 1 1
  214 2 2
  215 3 3
  216 2 2
  217 47 47
  218 11 11
  219 7 7
  220 3 3
  221 1 1
  229 2 2
  230 89 89
  231 24 24
  232 126 126
  233 20 20
  234 8 8
  235 2 2
  236 1 1
  242 1 1
  243 22 22
  244 6 6
  245 46 46
  246 11 11
  247 5 5
  248 2 2
  249 1 1
  250 3 3
  257 2 2
  258 4 4
  259 18 18
  260 9 9
  261 3 3
  262 5 5
  263 1 1
  265 1 1
  274 16 16
  275 7 7
  276 12 12
  277 3 3
  278 1 1
  288 1 1
  289 1 1
  290 2 2
  291 1 1
  302 5 5
  303 1 1
  304 1 1
  306 1 1
  316 1 1
  317 1 1
  318 9 9
  319 2 2
  320 2 2
  322 1 1
  330 1 1
  333 3 3
  334 1 1
  348 3 3
  349 1 1
  390 1 1
  420 1 1
  448 1 1
  507 1 1
  508 6 6
  509 5 5
  510 3 3
  511 1 1
  535 2 2
  536 8 8
  537 5 5
  538 2 2
  550 4 4
  551 18 18
  552 9 9
  553 4 4
  554 1 1
//