MassBank Record: MSBNK-Osaka_Univ-OUF00255
ACCESSION: MSBNK-Osaka_Univ-OUF00255
RECORD_TITLE: Glycerol-2-phosphate; GC-EI-TOF; MS; n TMS; RT:650.6130907 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$NAME: Glycerol-2-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H9O6P
CH$EXACT_MASS: 172.01367
CH$SMILES: OCC(CO)OP(O)(O)=O
CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
CH$LINK: CAS
17181-54-3
CH$LINK: CHEBI
17270
CH$LINK: CHEMSPIDER
2431
CH$LINK: KEGG
C02979 D01488
CH$LINK: PUBCHEM
CID:2526
CH$LINK: INCHIKEY
DHCLVCXQIBBOPH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1023106
AC$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 1707.271
AC$CHROMATOGRAPHY: RETENTION_TIME 650.6130907 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0gwe-0981000000-ffc7c737ad151bab34f4
PK$NUM_PEAK: 234
PK$PEAK: m/z int. rel.int.
85 36 36
86 8 8
87 46 46
88 13 13
89 39 39
90 8 8
91 12 12
92 7 7
93 6 6
94 2 2
95 2 2
96 3 3
97 5 5
98 10 10
99 35 35
100 6 6
101 302 302
102 41 41
103 336 336
104 34 34
105 36 36
106 7 7
107 14 14
108 1 1
109 5 5
110 1 1
111 12 12
112 2 2
113 49 49
114 8 8
115 90 90
116 30 30
117 37 37
118 10 10
119 43 43
120 7 7
121 22 22
122 3 3
123 9 9
125 2 2
127 9 9
128 4 4
129 483 483
130 72 72
131 185 185
132 27 27
133 367 367
134 52 52
135 106 106
136 13 13
137 43 43
138 5 5
139 6 6
142 1 1
143 12 12
144 1 1
145 8 8
146 2 2
147 515 515
148 85 85
149 71 71
150 10 10
151 30 30
152 3 3
153 11 11
154 1 1
155 21 21
156 3 3
157 3 3
159 12 12
160 2 2
161 2 2
162 1 1
163 25 25
164 4 4
165 18 18
166 4 4
167 16 16
168 2 2
169 2 2
170 1 1
173 1 1
174 1 1
175 7 7
176 2 2
177 18 18
178 5 5
179 19 19
180 4 4
181 75 75
182 14 14
183 31 31
184 9 9
185 3 3
186 1 1
187 1 1
188 1 1
189 20 20
190 6 6
191 113 113
192 27 27
193 87 87
194 19 19
195 44 44
196 10 10
197 25 25
198 4 4
199 2 2
200 2 2
201 1 1
203 29 29
204 11 11
205 16 16
206 5 5
207 131 131
208 31 31
209 25 25
210 9 9
211 805 805
212 193 193
213 86 86
214 15 15
215 3 3
216 1 1
217 39 39
218 38 38
219 17 17
220 8 8
221 8 8
222 3 3
223 5 5
224 2 2
225 43 43
226 9 9
227 117 117
228 33 33
229 14 14
230 1 1
233 1 1
234 1 1
235 2 2
236 2 2
237 11 11
238 4 4
239 5 5
240 1 1
241 4 4
242 4 4
243 999 999
244 179 179
245 90 90
246 12 12
247 2 2
249 1 1
251 1 1
253 14 14
254 4 4
255 18 18
256 6 6
257 3 3
267 2 2
268 4 4
269 24 24
270 8 8
271 6 6
277 1 1
283 19 19
284 8 8
285 86 86
286 24 24
287 14 14
288 2 2
295 1 1
297 2 2
298 14 14
299 551 551
300 155 155
301 85 85
302 18 18
303 5 5
304 1 1
307 4 4
311 3 3
312 2 2
313 9 9
314 7 7
315 107 107
316 30 30
317 17 17
318 2 2
327 17 17
328 6 6
329 3 3
341 12 12
342 10 10
343 6 6
344 2 2
345 1 1
355 3 3
356 2 2
357 22 22
358 8 8
359 5 5
360 1 1
362 1 1
369 2 2
370 5 5
371 2 2
372 3 3
373 50 50
374 27 27
375 14 14
376 4 4
377 1 1
383 1 1
385 1 1
387 11 11
388 9 9
389 67 67
390 34 34
391 23 23
392 8 8
393 2 2
415 7 7
416 4 4
417 1 1
429 1 1
430 1 1
444 4 4
445 44 44
446 27 27
447 12 12
448 3 3
449 1 1
//
system version 2.2.6-SNAPSHOT
