MassBank Record: MSBNK-Osaka_Univ-OUF00212
ACCESSION: MSBNK-Osaka_Univ-OUF00212
RECORD_TITLE: D-Ribulose-5-phosphate; GC-EI-TOF; MS; n TMS; RT:802.235 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$NAME: D-Ribulose-5-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.01915
CH$SMILES: OCC(=O)C(O)C(O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
CH$LINK: CAS
93-87-8
CH$LINK: CHEBI
52742
CH$LINK: CHEMSPIDER
388313
CH$LINK: KEGG
C00117
CH$LINK: PUBCHEM 439167
CH$LINK: INCHIKEY
FNZLKVNUWIIPSJ-UHNVWZDZSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2080.218
AC$CHROMATOGRAPHY: RETENTION_TIME 802.235 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0a4j-1935000000-dfb75754c9a7045f108f
PK$NUM_PEAK: 215
PK$PEAK: m/z int. rel.int.
85 38 38
86 17 17
87 30 30
88 22 22
89 329 329
90 30 30
91 25 25
92 1 1
93 5 5
94 2 2
95 2 2
96 22 22
97 5 5
98 15 15
99 27 27
100 52 52
101 246 246
102 32 32
103 335 335
104 36 36
105 40 40
106 3 3
107 6 6
109 1 1
110 1 1
111 6 6
112 4 4
113 25 25
114 96 96
115 52 52
116 84 84
117 120 120
118 16 16
119 40 40
120 4 4
121 18 18
122 1 1
123 6 6
124 1 1
125 5 5
126 118 118
127 14 14
128 21 21
129 173 173
130 28 28
131 151 151
132 18 18
133 286 286
134 43 43
135 78 78
136 9 9
137 26 26
138 1 1
139 2 2
140 9 9
141 2 2
142 16 16
143 14 14
144 5 5
145 12 12
146 5 5
147 447 447
148 70 70
149 51 51
150 7 7
151 31 31
152 10 10
153 5 5
154 15 15
155 3 3
156 11 11
157 7 7
158 8 8
159 16 16
160 2 2
161 44 44
162 5 5
163 22 22
164 2 2
165 7 7
166 5 5
167 8 8
168 11 11
169 3 3
170 8 8
171 1 1
172 21 21
173 25 25
174 7 7
175 5 5
176 1 1
177 6 6
178 1 1
179 8 8
180 2 2
181 41 41
182 9 9
183 20 20
184 15 15
185 2 2
186 16 16
187 2 2
188 7 7
189 12 12
190 3 3
191 47 47
192 7 7
193 41 41
194 5 5
195 58 58
196 8 8
197 21 21
198 6 6
199 1 1
200 21 21
201 50 50
202 12 12
203 6 6
204 5 5
205 7 7
207 69 69
208 13 13
209 12 12
210 5 5
211 217 217
212 41 41
213 20 20
214 8 8
215 5 5
216 12 12
217 33 33
218 11 11
219 4 4
221 3 3
225 74 74
226 13 13
227 42 42
228 12 12
229 6 6
230 8 8
231 2 2
232 1 1
233 10 10
234 1 1
240 3 3
241 8 8
242 4 4
243 5 5
244 3 3
253 33 33
254 7 7
255 7 7
256 13 13
257 2 2
258 1 1
260 15 15
261 4 4
262 4 4
269 18 18
270 3 3
271 1 1
275 1 1
283 10 10
284 3 3
285 20 20
286 3 3
287 3 3
298 10 10
299 291 291
300 89 89
301 50 50
302 8 8
303 1 1
313 7 7
314 8 8
315 63 63
316 19 19
317 10 10
318 1 1
328 7 7
329 4 4
330 4 4
331 4 4
332 3 3
340 3 3
341 73 73
342 42 42
343 15 15
344 3 3
346 2 2
347 1 1
349 2 2
352 1 1
355 2 2
356 55 55
357 999 999
358 340 340
359 165 165
360 43 43
361 8 8
362 6 6
363 1 1
369 1 1
370 2 2
371 2 2
372 1 1
373 14 14
374 6 6
375 1 1
387 14 14
388 6 6
389 7 7
403 2 2
404 1 1
429 3 3
//
