MassBank Record: MSBNK-RIKEN-PR010241
ACCESSION: MSBNK-RIKEN-PR010241
RECORD_TITLE: Uridine 5'-diphospho-N-acetylglucosamine; GC-EI-TOF; MS; n 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$NAME: Uridine 5'-diphospho-N-acetylglucosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C17H27N3O17P2
CH$EXACT_MASS: 607.08157
CH$SMILES: OCC(O1)C(O)C(O)C(NC(C)=O)C1OP(O)(=O)OP(O)(=O)OCC(O2)C(O)C(O)C2N(C=3)C(=O)NC(=O)C3
CH$IUPAC: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
CH$LINK: CAS
91183-98-1
CH$LINK: NIKKAJI
J333.358B
CH$LINK: INCHIKEY
LFTYTUAZOPRMMI-CFRASDGPSA-N
AC$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 1817.1
AC$CHROMATOGRAPHY: RETENTION_TIME 477.898 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C{17+3*n}H{27+8*n}N3O17P2Si{n}
MS$FOCUSED_ION: DERIVATIVE_MASS 607.08157+72.03953*n
MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9620000000-18841b4db9b69a91db36
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
60 9 9
61 18 18
62 1 1
63 1 1
65 1 1
66 9 9
67 4 4
68 1 1
69 8 8
70 9 9
71 7 7
72 22 22
73 999 999
74 91 91
75 106 106
76 9 9
77 13 13
78 1 1
79 6 6
80 4 4
81 6 6
82 5 5
83 29 29
84 69 69
85 12 12
86 4 4
87 8 8
88 4 4
89 36 36
90 3 3
91 2 2
94 2 2
95 1 1
96 8 8
97 2 2
98 3 3
99 10 10
100 15 15
101 28 28
102 7 7
103 68 68
104 7 7
105 5 5
108 4 4
109 2 2
110 2 2
111 7 7
112 3 3
113 19 19
114 9 9
115 18 18
116 24 24
117 99 99
118 11 11
119 11 11
120 1 1
121 1 1
122 2 2
124 2 2
125 1 1
126 2 2
127 3 3
128 14 14
129 52 52
130 12 12
131 30 30
132 7 7
133 50 50
134 7 7
135 6 6
136 3 3
138 1 1
140 1 1
141 2 2
142 5 5
143 12 12
144 7 7
145 4 4
146 1 1
147 159 159
148 25 25
149 28 28
150 5 5
151 2 2
152 1 1
153 1 1
154 2 2
155 2 2
156 26 26
157 12 12
158 7 7
159 15 15
160 9 9
161 2 2
162 1 1
163 10 10
164 1 1
165 1 1
168 6 6
169 4 4
170 15 15
171 2 2
172 2 2
173 15 15
174 5 5
175 5 5
176 1 1
177 6 6
178 1 1
181 1 1
182 6 6
183 2 2
184 6 6
185 2 2
186 2 2
187 1 1
189 26 26
190 6 6
191 42 42
192 8 8
193 4 4
194 1 1
196 4 4
197 3 3
198 12 12
199 2 2
200 1 1
201 2 2
202 10 10
203 24 24
204 42 42
205 14 14
206 4 4
207 1 1
210 5 5
211 3 3
212 1 1
215 4 4
216 1 1
217 55 55
218 51 51
219 13 13
220 4 4
221 1 1
224 3 3
225 1 1
226 28 28
227 5 5
228 2 2
229 1 1
230 5 5
231 23 23
232 5 5
233 13 13
234 2 2
235 1 1
239 3 3
240 1 1
243 1 1
244 1 1
245 1 1
246 4 4
247 1 1
257 1 1
258 2 2
272 2 2
273 1 1
274 1 1
275 1 1
284 1 1
300 4 4
301 1 1
314 2 2
316 3 3
317 1 1
318 4 4
319 3 3
320 1 1
329 12 12
330 3 3
331 1 1
404 3 3
405 1 1
//