ACCESSION: MSBNK-RIKEN-PR010097
RECORD_TITLE: Adenine; GC-EI-TOF; MS; 2 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$NAME: Adenine
CH$NAME: 6-Aminopurine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₅N₅
CH$EXACT_MASS: 135.05450
CH$SMILES: C1=NC2=C(N1)C(=NC=N2)N
CH$IUPAC: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
CH$LINK: CAS 73-24-5
CH$LINK: CHEBI 16708
CH$LINK: CHEMPDB ADE
CH$LINK: KEGG C00147
CH$LINK: NIKKAJI J5.257D
CH$LINK: PUBCHEM 3447
CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022557

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$CHROMATOGRAPHY: RETENTION_INDEX 1872.4
AC$CHROMATOGRAPHY: RETENTION_TIME 455.617 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H21N5Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 279.13355
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9350000000-220125189c286547e86c
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  60 11 11
  61 2 2
  63 1 1
  64 2 2
  65 3 3
  66 5 5
  67 6 6
  68 2 2
  69 17 17
  70 43 43
  71 29 29
  72 33 33
  73 999 999
  74 137 137
  75 31 31
  76 4 4
  77 6 6
  78 3 3
  79 12 12
  80 3 3
  81 5 5
  82 5 5
  83 7 7
  84 141 141
  85 76 76
  86 22 22
  87 5 5
  88 5 5
  89 1 1
  90 1 1
  92 4 4
  93 7 7
  94 3 3
  95 13 13
  96 9 9
  97 9 9
  98 13 13
  99 69 69
  100 43 43
  101 18 18
  102 4 4
  103 2 2
  106 1 1
  107 4 4
  108 3 3
  109 5 5
  110 11 11
  111 52 52
  112 8 8
  113 6 6
  114 3 3
  115 2 2
  116 4 4
  117 1 1
  118 1 1
  119 3 3
  120 2 2
  121 2 2
  122 6 6
  123 16 16
  124 8 8
  125 15 15
  126 5 5
  127 2 2
  128 1 1
  130 15 15
  131 2 2
  132 3 3
  134 2 2
  135 10 10
  136 5 5
  137 14 14
  138 16 16
  139 4 4
  140 3 3
  141 5 5
  142 2 2
  143 1 1
  146 1 1
  147 1 1
  148 2 2
  149 7 7
  150 6 6
  151 7 7
  152 8 8
  153 3 3
  154 2 2
  155 2 2
  156 2 2
  157 5 5
  158 1 1
  161 1 1
  162 6 6
  163 3 3
  164 17 17
  165 52 52
  166 11 11
  167 6 6
  168 3 3
  169 1 1
  171 3 3
  172 1 1
  175 1 1
  176 18 18
  177 5 5
  178 4 4
  179 11 11
  180 17 17
  181 4 4
  182 3 3
  183 3 3
  184 1 1
  189 1 1
  190 2 2
  191 16 16
  192 130 130
  193 21 21
  194 10 10
  195 2 2
  196 2 2
  204 1 1
  205 1 1
  206 34 34
  207 12 12
  208 4 4
  209 2 2
  210 3 3
  211 1 1
  220 1 1
  221 7 7
  222 7 7
  223 3 3
  224 1 1
  234 4 4
  235 3 3
  236 3 3
  237 16 16
  238 10 10
  239 3 3
  240 1 1
  248 9 9
  249 3 3
  250 1 1
  251 1 1
  262 2 2
  263 7 7
  264 566 566
  265 136 136
  266 54 54
  267 8 8
  268 1 1
  278 14 14
  279 115 115
  280 29 29
  281 10 10
  282 1 1
//