ACCESSION: MSBNK-RIKEN-PR010009
RECORD_TITLE: 5-Methylcytosine; 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$NAME: 5-Methylcytosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₇N₃O
CH$EXACT_MASS: 125.05891
CH$SMILES: CC(=C1)C(N)=NC(=O)N1
CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
CH$LINK: CAS 58366-64-6
CH$LINK: NIKKAJI J237.153G
CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50203948

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$CHROMATOGRAPHY: RETENTION_INDEX 1545.2
AC$CHROMATOGRAPHY: RETENTION_TIME 383.15 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H23N3OSi2
MS$FOCUSED_ION: DERIVATIVE_MASS 269.13797
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fk9-8970000000-8e71ebdb5a55e2426344
PK$NUM_PEAK: 168
PK$PEAK: m/z int. rel.int.
  60 31 31
  61 25 25
  62 3 3
  63 2 2
  64 2 2
  65 1 1
  66 14 14
  67 8 8
  68 1 1
  69 17 17
  70 69 69
  71 33 33
  72 98 98
  73 999 999
  74 176 176
  75 73 73
  76 10 10
  77 25 25
  78 9 9
  79 51 51
  80 10 10
  81 11 11
  82 23 23
  83 23 23
  84 107 107
  85 55 55
  86 82 82
  87 15 15
  88 9 9
  89 2 2
  90 2 2
  91 1 1
  92 1 1
  93 2 2
  94 2 2
  95 8 8
  96 24 24
  97 19 19
  98 45 45
  99 30 30
  100 190 190
  101 25 25
  102 15 15
  103 6 6
  104 2 2
  105 7 7
  106 5 5
  107 3 3
  108 4 4
  109 14 14
  110 26 26
  111 29 29
  112 327 327
  113 51 51
  114 25 25
  115 12 12
  116 19 19
  117 13 13
  118 4 4
  119 8 8
  120 59 59
  121 5 5
  122 1 1
  123 8 8
  124 6 6
  125 7 7
  126 25 25
  127 14 14
  128 15 15
  129 4 4
  130 64 64
  131 42 42
  132 23 23
  133 37 37
  134 7 7
  135 3 3
  136 1 1
  137 14 14
  138 17 17
  139 136 136
  140 20 20
  141 15 15
  142 6 6
  143 5 5
  144 4 4
  145 1 1
  146 91 91
  147 295 295
  148 52 52
  149 22 22
  150 5 5
  151 3 3
  152 4 4
  153 15 15
  154 9 9
  155 4 4
  156 3 3
  157 18 18
  158 11 11
  159 3 3
  160 1 1
  164 34 34
  165 5 5
  166 7 7
  167 3 3
  168 3 3
  169 5 5
  170 5 5
  171 4 4
  172 7 7
  173 2 2
  174 1 1
  178 2 2
  179 1 1
  180 6 6
  181 8 8
  182 37 37
  183 7 7
  184 166 166
  185 35 35
  186 14 14
  187 2 2
  194 2 2
  195 2 2
  196 35 35
  197 12 12
  198 6 6
  199 2 2
  200 1 1
  208 1 1
  209 1 1
  210 1 1
  211 27 27
  212 7 7
  213 3 3
  222 1 1
  224 7 7
  225 7 7
  226 3 3
  227 17 17
  228 4 4
  229 1 1
  237 1 1
  238 114 114
  239 33 33
  240 12 12
  241 2 2
  246 1 1
  247 1 1
  250 1 1
  252 4 4
  253 6 6
  254 912 912
  255 216 216
  256 89 89
  257 14 14
  258 2 2
  260 1 1
  261 1 1
  262 1 1
  263 1 1
  264 1 1
  265 1 1
  268 21 21
  269 202 202
  270 49 49
  271 19 19
  272 3 3
//