MassBank Record: MSBNK-Osaka_Univ-OUF00029
ACCESSION: MSBNK-Osaka_Univ-OUF00029
RECORD_TITLE: 2-Deoxyribose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:774.5702191 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$NAME: 2'-Deoxyribose-5'-Phosphate
CH$NAME: 2-Deoxyribose 5-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H11O7P
CH$EXACT_MASS: 214.02424
CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1
CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1
CH$LINK: CAS
7685-50-9
CH$LINK: CHEMSPIDER
615
CH$LINK: PUBCHEM 635
CH$LINK: INCHIKEY
KKZFLSZAWCYPOC-PYHARJCCSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$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 2006.836
AC$CHROMATOGRAPHY: RETENTION_TIME 774.5702191 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0i01-0932000000-5462baa01577bdd7e852
PK$NUM_PEAK: 209
PK$PEAK: m/z int. rel.int.
85 62 62
86 57 57
87 68 68
88 7 7
89 389 389
90 33 33
91 47 47
92 1 1
93 7 7
94 27 27
95 6 6
96 63 63
97 13 13
98 42 42
99 65 65
100 39 39
101 999 999
102 129 129
103 268 268
104 26 26
105 190 190
106 26 26
107 34 34
108 8 8
109 13 13
110 425 425
111 46 46
112 16 16
113 31 31
114 17 17
115 119 119
116 517 517
117 155 155
118 21 21
119 60 60
120 9 9
121 35 35
123 13 13
124 4 4
126 120 120
127 109 109
128 79 79
129 462 462
130 67 67
131 143 143
132 17 17
133 563 563
134 79 79
135 184 184
136 19 19
137 52 52
139 10 10
140 36 36
141 19 19
142 277 277
143 132 132
144 38 38
145 26 26
146 1 1
147 664 664
148 113 113
149 87 87
150 14 14
151 46 46
152 46 46
153 16 16
154 17 17
155 8 8
156 9 9
157 4 4
158 68 68
159 19 19
161 3 3
163 32 32
165 20 20
167 12 12
168 293 293
169 70 70
170 28 28
171 18 18
172 26 26
173 581 581
174 179 179
175 37 37
177 13 13
178 11 11
179 12 12
180 6 6
181 89 89
182 12 12
183 33 33
184 31 31
185 9 9
186 32 32
188 5 5
189 11 11
190 4 4
191 54 54
192 11 11
193 82 82
194 14 14
195 77 77
196 22 22
197 34 34
198 46 46
199 25 25
200 112 112
201 11 11
202 23 23
203 7 7
204 3 3
205 2 2
207 139 139
208 26 26
209 7 7
210 4 4
211 528 528
212 119 119
213 56 56
214 13 13
215 6 6
216 9 9
217 251 251
218 35 35
219 9 9
221 4 4
222 7 7
225 105 105
226 18 18
227 232 232
228 42 42
229 22 22
232 6 6
241 11 11
242 24 24
243 114 114
244 21 21
245 4 4
253 21 21
254 1 1
255 7 7
256 9 9
257 1 1
258 18 18
259 8 8
260 7 7
261 1 1
263 2 2
264 1 1
266 3 3
269 10 10
270 1 1
274 1 1
276 3 3
283 33 33
284 6 6
285 50 50
286 14 14
290 1 1
298 18 18
299 711 711
300 343 343
301 145 145
302 34 34
311 1 1
313 16 16
314 48 48
315 899 899
316 322 322
317 158 158
318 22 22
319 7 7
320 1 1
322 1 1
327 1 1
330 10 10
332 7 7
338 1 1
340 4 4
341 36 36
342 10 10
349 4 4
354 3 3
356 23 23
357 393 393
358 158 158
359 61 61
360 10 10
362 7 7
364 1 1
366 1 1
369 5 5
370 1 1
373 8 8
374 3 3
380 4 4
386 4 4
387 51 51
388 25 25
389 17 17
390 14 14
417 1 1
418 1 1
423 4 4
456 1 1
459 1 1
467 3 3
478 2 2
500 4 4
//
