ACCESSION: MSBNK-RIKEN-PR010096
RECORD_TITLE: 6-(gamma,gamma-Dimethylallylamino)purine; GC-EI-TOF; MS; 1 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$NAME: 6-(gamma,gamma-Dimethylallylamino)purine
CH$NAME: N6-Dimethylallyladenine
CH$NAME: N6-(delta2-Isopentenyl)-adenine
CH$NAME: N6-(3-Methylbut-2-enyl)adenine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃N₅
CH$EXACT_MASS: 203.11710
CH$SMILES: CC(C)=CCNC(=N2)C(N=1)C(N=C2)=NC1
CH$IUPAC: InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6,8H,4H2,1-2H3,(H,11,12,13,14,15)
CH$LINK: CAS 2365-40-4
CH$LINK: CHEBI 17660
CH$LINK: KEGG C04083
CH$LINK: NIKKAJI J120.788A
CH$LINK: PUBCHEM 6776
CH$LINK: INCHIKEY XVVUABVHOSCDJP-UHFFFAOYSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 2181
AC$CHROMATOGRAPHY: RETENTION_TIME 515.265 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H21N5Si
MS$FOCUSED_ION: DERIVATIVE_MASS 275.15662
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00e9-9560000000-6be8deffc7067c0a985e
PK$NUM_PEAK: 166
PK$PEAK: m/z int. rel.int.
  60 13 13
  61 3 3
  62 2 2
  63 3 3
  64 5 5
  65 29 29
  66 29 29
  67 75 75
  68 7 7
  69 37 37
  70 56 56
  71 28 28
  72 67 67
  73 999 999
  74 156 156
  75 36 36
  76 5 5
  77 15 15
  78 10 10
  79 26 26
  80 18 18
  81 15 15
  82 20 20
  83 16 16
  84 188 188
  85 62 62
  86 19 19
  87 6 6
  88 5 5
  89 2 2
  90 1 1
  91 4 4
  92 24 24
  93 38 38
  94 24 24
  95 21 21
  96 12 12
  97 11 11
  98 15 15
  99 50 50
  100 18 18
  101 74 74
  102 7 7
  103 3 3
  104 2 2
  105 8 8
  106 9 9
  107 12 12
  108 21 21
  109 17 17
  110 11 11
  111 30 30
  112 6 6
  113 5 5
  114 1 1
  115 2 2
  117 2 2
  118 4 4
  119 51 51
  120 18 18
  121 15 15
  122 10 10
  123 26 26
  124 9 9
  125 6 6
  126 6 6
  127 1 1
  130 1 1
  131 4 4
  132 8 8
  133 9 9
  134 13 13
  135 26 26
  136 20 20
  137 12 12
  138 20 20
  139 5 5
  140 2 2
  142 1 1
  144 2 2
  145 3 3
  146 5 5
  147 5 5
  148 12 12
  149 7 7
  150 20 20
  151 14 14
  152 9 9
  153 2 2
  154 1 1
  157 1 1
  158 5 5
  159 17 17
  160 44 44
  161 30 30
  162 11 11
  163 5 5
  164 28 28
  165 51 51
  166 38 38
  167 7 7
  168 1 1
  171 5 5
  172 5 5
  173 6 6
  174 5 5
  175 23 23
  176 14 14
  177 11 11
  178 7 7
  179 11 11
  180 14 14
  181 3 3
  185 18 18
  186 12 12
  187 5 5
  188 23 23
  189 4 4
  190 5 5
  191 19 19
  192 247 247
  193 46 46
  194 11 11
  195 1 1
  200 3 3
  201 2 2
  202 16 16
  203 4 4
  204 2 2
  205 3 3
  206 50 50
  207 90 90
  208 19 19
  209 4 4
  216 9 9
  217 5 5
  218 3 3
  219 4 4
  220 27 27
  221 5 5
  222 1 1
  230 1 1
  231 10 10
  232 606 606
  233 147 147
  234 41 41
  235 5 5
  243 5 5
  244 7 7
  245 14 14
  246 7 7
  247 16 16
  248 5 5
  249 1 1
  257 11 11
  258 6 6
  259 14 14
  260 254 254
  261 54 54
  262 13 13
  263 1 1
  272 1 1
  274 19 19
  275 99 99
  276 21 21
  277 5 5
//