ACCESSION: MSBNK-Osaka_Univ-OUF00015
RECORD_TITLE: 2,6-Diaminopurine; GC-EI-TOF; MS; n TMS; RT:840.956 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 2,6-Diaminopurine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₆N₆
CH$EXACT_MASS: 150.06539
CH$SMILES: C1=NC2=C(N1)C(=NC(=N2)N)N
CH$IUPAC: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
CH$LINK: CAS 1904-98-9
CH$LINK: CHEMSPIDER 28738
CH$LINK: PUBCHEM CID:30976
CH$LINK: INCHIKEY MSSXOMSJDRHRMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0062052

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 2186.720
AC$CHROMATOGRAPHY: RETENTION_TIME 840.956 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0udi-3938000000-4868e65400e99cbb961f
PK$NUM_PEAK: 238
PK$PEAK: m/z int. rel.int.
  85 169 169
  86 92 92
  87 22 22
  88 97 97
  89 10 10
  90 5 5
  91 1 1
  92 6 6
  93 8 8
  94 8 8
  95 21 21
  96 21 21
  97 23 23
  98 60 60
  99 630 630
  100 324 324
  101 79 79
  102 32 32
  103 7 7
  104 3 3
  106 1 1
  107 5 5
  108 5 5
  109 11 11
  110 45 45
  111 125 125
  112 29 29
  113 59 59
  114 52 52
  115 32 32
  116 58 58
  117 15 15
  118 11 11
  119 1 1
  120 1 1
  121 5 5
  122 8 8
  123 16 16
  124 37 37
  125 37 37
  126 32 32
  127 25 25
  128 9 9
  129 10 10
  130 424 424
  131 79 79
  132 42 42
  133 7 7
  134 7 7
  135 12 12
  136 8 8
  137 14 14
  138 84 84
  139 38 38
  140 44 44
  141 69 69
  142 34 34
  143 20 20
  144 10 10
  145 3 3
  146 54 54
  147 10 10
  148 6 6
  149 11 11
  150 8 8
  151 17 17
  152 61 61
  153 29 29
  154 17 17
  155 49 49
  156 39 39
  157 60 60
  158 16 16
  159 6 6
  160 5 5
  161 1 1
  162 1 1
  163 5 5
  164 20 20
  165 83 83
  166 26 26
  167 44 44
  168 65 65
  169 24 24
  170 12 12
  171 198 198
  172 56 56
  173 21 21
  174 4 4
  176 5 5
  177 9 9
  178 18 18
  179 56 56
  180 33 33
  181 38 38
  182 118 118
  183 43 43
  184 17 17
  185 5 5
  186 2 2
  187 18 18
  188 5 5
  189 3 3
  190 24 24
  191 9 9
  192 10 10
  193 31 31
  194 29 29
  195 17 17
  196 21 21
  197 19 19
  198 8 8
  199 2 2
  200 1 1
  202 2 2
  203 1 1
  204 3 3
  205 10 10
  206 9 9
  207 19 19
  208 13 13
  209 11 11
  210 16 16
  211 6 6
  212 13 13
  213 4 4
  214 3 3
  215 1 1
  218 1 1
  219 2 2
  220 5 5
  221 50 50
  222 34 34
  223 18 18
  224 8 8
  225 5 5
  226 2 2
  231 1 1
  233 11 11
  234 8 8
  235 14 14
  236 29 29
  237 167 167
  238 55 55
  239 24 24
  240 6 6
  241 2 2
  242 2 2
  243 1 1
  244 2 2
  245 1 1
  246 3 3
  247 23 23
  248 11 11
  249 12 12
  250 11 11
  251 36 36
  252 48 48
  253 36 36
  254 12 12
  255 3 3
  261 3 3
  262 37 37
  263 299 299
  264 81 81
  265 31 31
  266 23 23
  267 15 15
  268 4 4
  269 1 1
  270 1 1
  276 3 3
  277 38 38
  278 43 43
  279 35 35
  280 14 14
  281 4 4
  291 1 1
  292 3 3
  293 34 34
  294 19 19
  295 7 7
  296 2 2
  297 1 1
  304 1 1
  307 1 1
  308 3 3
  309 12 12
  310 6 6
  311 6 6
  312 2 2
  319 2 2
  320 3 3
  321 4 4
  322 3 3
  323 2 2
  324 3 3
  325 2 2
  326 1 1
  333 2 2
  334 14 14
  335 121 121
  336 106 106
  337 46 46
  338 18 18
  339 4 4
  340 1 1
  341 2 2
  342 4 4
  343 5 5
  344 5 5
  345 4 4
  346 6 6
  347 5 5
  348 5 5
  349 19 19
  350 57 57
  351 999 999
  352 460 460
  353 201 201
  354 58 58
  355 16 16
  356 5 5
  357 3 3
  358 5 5
  359 4 4
  360 4 4
  361 5 5
  362 5 5
  363 3 3
  364 4 4
  365 49 49
  366 550 550
  367 224 224
  368 98 98
  369 27 27
  370 7 7
  371 1 1
//