MassBank Record: MSBNK-Osaka_Univ-OUF00148
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
//
system version 2.2.8-SNAPSHOT