ACCESSION: MSBNK-Osaka_Univ-OUF00148
RECORD_TITLE: Cytosine; GC-EI-TOF; MS; n TMS; RT:563.709 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$NAME: Cytosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₅N₃O
CH$EXACT_MASS: 111.04326
CH$SMILES: NC(C=1)=NC(=O)NC1
CH$IUPAC: InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
CH$LINK: CAS 71-30-7
CH$LINK: CHEBI 116552 16040
CH$LINK: CHEMSPIDER 577
CH$LINK: KEGG C00380
CH$LINK: PUBCHEM CID:597
CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044456

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$CHROMATOGRAPHY: RETENTION_INDEX 1522.415
AC$CHROMATOGRAPHY: RETENTION_TIME 563.709 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udm-3970000000-a0532c16ce6140949915
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  85 62 62
  86 121 121
  87 33 33
  88 17 17
  89 4 4
  90 3 3
  91 14 14
  92 5 5
  93 9 9
  94 21 21
  95 83 83
  96 34 34
  97 77 77
  98 999 999
  99 178 178
  100 540 540
  101 117 117
  102 44 44
  103 16 16
  104 6 6
  105 38 38
  106 5 5
  107 3 3
  108 4 4
  109 27 27
  110 26 26
  111 28 28
  112 53 53
  113 123 123
  114 82 82
  115 40 40
  116 45 45
  117 24 24
  118 5 5
  119 3 3
  120 19 19
  121 2 2
  122 3 3
  123 39 39
  124 26 26
  125 269 269
  126 46 46
  127 37 37
  128 12 12
  129 8 8
  130 150 150
  131 73 73
  132 47 47
  133 22 22
  134 7 7
  135 1 1
  136 7 7
  137 3 3
  138 17 17
  139 22 22
  140 29 29
  141 19 19
  142 11 11
  143 7 7
  144 4 4
  145 2 2
  146 128 128
  147 252 252
  148 50 50
  149 22 22
  150 53 53
  151 9 9
  152 37 37
  153 9 9
  154 12 12
  155 24 24
  156 48 48
  157 36 36
  158 17 17
  159 4 4
  164 3 3
  165 1 1
  166 18 18
  167 18 18
  168 100 100
  169 20 20
  170 471 471
  171 98 98
  172 50 50
  173 12 12
  180 4 4
  181 8 8
  182 76 76
  183 27 27
  184 24 24
  185 3 3
  186 1 1
  193 1 1
  194 2 2
  195 2 2
  197 42 42
  198 13 13
  199 7 7
  200 2 2
  203 1 1
  210 14 14
  211 5 5
  212 6 6
  213 12 12
  214 3 3
  222 1 1
  224 38 38
  225 9 9
  226 4 4
  237 4 4
  238 185 185
  239 66 66
  240 878 878
  241 194 194
  242 78 78
  243 13 13
  244 3 3
  245 2 2
  246 1 1
  247 1 1
  248 1 1
  250 1 1
  252 1 1
  253 11 11
  254 941 941
  255 445 445
  256 141 141
  257 39 39
  258 4 4
  270 1 1
//