ACCESSION: MSBNK-Osaka_Univ-OUF00084
RECORD_TITLE: 6-Amino-1-MethylUracil; GC-EI-TOF; MS; n TMS; RT:722.008 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$NAME: 6-Amino-1-MethylUracil
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₇N₃O₂
CH$EXACT_MASS: 141.05383
CH$SMILES: O=C(C=1)NC(=O)N(C)C(N)1
CH$IUPAC: InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
CH$LINK: CAS 2434-53-9
CH$LINK: CHEBI 241801
CH$LINK: CHEMSPIDER 68046
CH$LINK: PUBCHEM CID:75520
CH$LINK: INCHIKEY GZLZRPNUDBIQBM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30179076

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$CHROMATOGRAPHY: RETENTION_INDEX 1874.613
AC$CHROMATOGRAPHY: RETENTION_TIME 722.008 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0092-3913000000-159775e04f8057fa3afb
PK$NUM_PEAK: 182
PK$PEAK: m/z int. rel.int.
  85 196 196
  86 60 60
  87 25 25
  88 17 17
  89 3 3
  90 20 20
  91 18 18
  92 3 3
  94 4 4
  95 1 1
  96 9 9
  97 11 11
  98 38 38
  99 999 999
  100 205 205
  101 63 63
  102 21 21
  103 3 3
  104 1 1
  107 1 1
  109 1 1
  110 6 6
  111 29 29
  112 13 13
  113 56 56
  114 47 47
  115 194 194
  116 54 54
  117 14 14
  118 3 3
  119 2 2
  120 3 3
  123 1 1
  124 8 8
  125 30 30
  126 21 21
  127 14 14
  128 7 7
  129 18 18
  130 180 180
  131 39 39
  132 18 18
  133 3 3
  137 2 2
  138 2 2
  139 69 69
  140 41 41
  141 107 107
  142 25 25
  143 13 13
  144 7 7
  145 1 1
  146 7 7
  147 1 1
  148 13 13
  149 3 3
  150 1 1
  151 7 7
  152 4 4
  153 4 4
  154 3 3
  155 100 100
  156 130 130
  157 115 115
  158 28 28
  159 9 9
  160 2 2
  165 1 1
  166 1 1
  167 37 37
  168 10 10
  169 7 7
  170 6 6
  171 926 926
  172 202 202
  173 80 80
  174 12 12
  175 2 2
  180 5 5
  181 212 212
  182 56 56
  183 42 42
  184 10 10
  185 30 30
  186 17 17
  187 23 23
  188 11 11
  189 4 4
  190 1 1
  191 1 1
  192 1 1
  193 1 1
  194 1 1
  195 9 9
  196 6 6
  197 247 247
  198 50 50
  199 25 25
  200 4 4
  201 1 1
  202 2 2
  203 1 1
  209 3 3
  210 1 1
  211 25 25
  212 25 25
  213 183 183
  214 39 39
  215 17 17
  216 2 2
  217 1 1
  222 6 6
  223 2 2
  224 1 1
  225 1 1
  226 2 2
  227 21 21
  228 12 12
  229 6 6
  230 2 2
  237 1 1
  238 22 22
  239 116 116
  240 26 26
  241 10 10
  242 2 2
  243 1 1
  244 15 15
  245 4 4
  246 2 2
  253 14 14
  254 6 6
  255 9 9
  256 3 3
  257 1 1
  269 14 14
  270 8 8
  271 4 4
  272 1 1
  283 1 1
  284 1 1
  285 109 109
  286 42 42
  287 46 46
  288 15 15
  289 6 6
  290 1 1
  293 1 1
  297 1 1
  298 1 1
  299 1 1
  300 1 1
  305 1 1
  306 1 1
  310 10 10
  311 13 13
  312 6 6
  313 2 2
  314 1 1
  317 1 1
  325 3 3
  326 12 12
  327 563 563
  328 237 237
  329 104 104
  330 28 28
  331 7 7
  332 2 2
  333 2 2
  334 2 2
  335 2 2
  336 2 2
  337 2 2
  338 2 2
  339 1 1
  340 2 2
  341 31 31
  342 264 264
  343 97 97
  344 43 43
  345 11 11
  346 2 2
//