ACCESSION: MSBNK-RIKEN-PR010205
RECORD_TITLE: 3-Methyladenine; GC-EI-TOF; MS; 1 TMS; BP:206
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$NAME: 3-Methyladenine
CH$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: CHEBI 1590
CH$LINK: KEGG C00913
CH$LINK: NIKKAJI J80.961F
CH$LINK: PUBCHEM 4168
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2029.7
AC$CHROMATOGRAPHY: RETENTION_TIME 520.765 sec

MS$FOCUSED_ION: BASE_PEAK 206
MS$FOCUSED_ION: DERIVATIVE_FORM C9H17N5Si
MS$FOCUSED_ION: DERIVATIVE_MASS 223.12532
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0ab9-9760000000-e3d1a7f774e6bfb718ae
PK$NUM_PEAK: 213
PK$PEAK: m/z int. rel.int.
  60 30 30
  61 8 8
  62 3 3
  63 1 1
  64 12 12
  65 32 32
  66 77 77
  67 157 157
  68 14 14
  69 48 48
  70 92 92
  71 40 40
  72 49 49
  73 488 488
  74 119 119
  75 16 16
  76 5 5
  77 15 15
  78 10 10
  79 58 58
  80 23 23
  81 28 28
  82 30 30
  83 34 34
  84 364 364
  85 114 114
  86 40 40
  87 9 9
  88 17 17
  89 4 4
  90 2 2
  91 5 5
  92 18 18
  93 34 34
  94 152 152
  95 74 74
  96 54 54
  97 23 23
  98 32 32
  99 83 83
  100 28 28
  101 10 10
  102 2 2
  103 42 42
  104 3 3
  105 2 2
  106 9 9
  107 21 21
  108 17 17
  109 18 18
  110 21 21
  111 213 213
  112 27 27
  113 30 30
  114 6 6
  115 8 8
  116 2 2
  118 1 1
  119 12 12
  120 10 10
  121 88 88
  122 128 128
  123 32 32
  124 21 21
  125 35 35
  126 9 9
  127 4 4
  128 1 1
  129 1 1
  130 1 1
  132 2 2
  133 7 7
  134 13 13
  135 19 19
  136 26 26
  137 16 16
  138 80 80
  139 13 13
  140 6 6
  141 2 2
  142 1 1
  143 1 1
  144 1 1
  145 1 1
  146 2 2
  147 6 6
  148 19 19
  149 58 58
  150 21 21
  151 27 27
  152 81 81
  153 14 14
  154 5 5
  155 1 1
  156 1 1
  157 1 1
  159 1 1
  160 3 3
  161 6 6
  162 12 12
  163 11 11
  164 16 16
  165 26 26
  166 12 12
  167 4 4
  168 2 2
  169 1 1
  170 1 1
  171 1 1
  172 1 1
  173 1 1
  174 4 4
  175 7 7
  176 130 130
  177 28 28
  178 21 21
  179 293 293
  180 54 54
  181 16 16
  182 3 3
  183 1 1
  184 1 1
  185 1 1
  186 1 1
  187 1 1
  188 2 2
  189 12 12
  190 31 31
  191 15 15
  192 6 6
  193 14 14
  194 21 21
  195 6 6
  196 3 3
  197 2 2
  198 1 1
  199 1 1
  200 1 1
  202 1 1
  203 2 2
  204 14 14
  205 119 119
  206 999 999
  207 167 167
  208 46 46
  209 5 5
  210 1 1
  211 2 2
  212 2 2
  213 2 2
  214 2 2
  215 2 2
  216 1 1
  217 2 2
  218 2 2
  219 2 2
  220 51 51
  221 357 357
  222 64 64
  223 17 17
  224 3 3
  225 1 1
  226 1 1
  227 1 1
  238 1 1
  239 1 1
  241 1 1
  246 1 1
  247 1 1
  248 1 1
  250 1 1
  266 1 1
  278 1 1
  308 1 1
  313 1 1
  320 1 1
  337 1 1
  352 1 1
  353 1 1
  355 1 1
  357 1 1
  361 1 1
  368 1 1
  388 1 1
  393 1 1
  403 1 1
  426 1 1
  460 1 1
  463 1 1
  490 1 1
  498 1 1
  510 1 1
  524 1 1
  526 1 1
  550 1 1
  558 1 1
  576 1 1
  583 1 1
  586 1 1
  594 1 1
  596 1 1
  598 1 1
  656 1 1
  668 1 1
  675 1 1
  708 1 1
  717 1 1
  727 1 1
  729 1 1
  739 1 1
  742 1 1
  765 1 1
  771 1 1
//