MassBank Record: MSBNK-Kazusa-KZ000210
ACCESSION: MSBNK-Kazusa-KZ000210
RECORD_TITLE: rac-Glycerol 3-phosphoate; GC-EI-TOF; MS; 4 TMS; BP:101
DATE: 2016.01.19 (Created 2009.03.11, modified 2012.05.21)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01508_P000052
CH$NAME: Glycerol 1-phosphate
CH$NAME: rac-Glycerol 3-phosphoate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H9O6P
CH$EXACT_MASS: 172.01367
CH$SMILES: OCC(O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
CH$LINK: CAS
5746-57-6
CH$LINK: KEGG
C00623
CH$LINK: INCHIKEY
AWUCVROLDVIAJX-VKHMYHEASA-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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1812.6
AC$CHROMATOGRAPHY: RETENTION_TIME 842.963 sec
MS$FOCUSED_ION: BASE_PEAK 101
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udj-0933000000-b4451fc24370d271ff11
PK$NUM_PEAK: 270
PK$PEAK: m/z int. rel.int.
82 1 1
83 8 8
84 13 13
85 69 69
86 12 12
87 72 72
88 35 35
89 88 88
90 13 13
91 16 16
92 10 10
93 11 11
94 3 3
95 4 4
96 5 5
97 6 6
98 11 11
99 50 50
100 10 10
101 999 999
102 111 111
103 847 847
104 89 89
105 73 73
106 10 10
107 20 20
108 3 3
109 8 8
110 1 1
111 13 13
112 3 3
113 160 160
114 21 21
115 186 186
116 193 193
117 158 158
118 25 25
119 71 71
120 11 11
121 36 36
122 5 5
123 15 15
124 2 2
125 2 2
126 1 1
127 10 10
128 9 9
129 464 464
130 91 91
131 415 415
132 56 56
133 603 603
134 86 86
135 166 166
136 19 19
137 54 54
138 6 6
139 7 7
140 1 1
141 1 1
142 1 1
143 6 6
144 1 1
145 17 17
146 4 4
147 967 967
148 154 154
149 134 134
150 18 18
151 46 46
152 6 6
153 12 12
154 1 1
155 3 3
157 2 2
159 7 7
160 1 1
161 7 7
162 3 3
163 37 37
164 7 7
165 19 19
166 4 4
167 16 16
168 3 3
169 3 3
170 1 1
171 1 1
172 1 1
173 2 2
174 1 1
175 10 10
176 4 4
177 17 17
178 5 5
179 19 19
180 5 5
181 71 71
182 12 12
183 29 29
184 6 6
185 4 4
186 1 1
187 2 2
188 1 1
189 22 22
190 6 6
191 79 79
192 19 19
193 89 89
194 18 18
195 78 78
196 14 14
197 23 23
198 5 5
199 3 3
200 2 2
201 2 2
202 1 1
203 64 64
204 19 19
205 42 42
206 9 9
207 167 167
208 36 36
209 31 31
210 14 14
211 453 453
212 76 76
213 45 45
214 6 6
215 3 3
216 1 1
217 21 21
218 108 108
219 54 54
220 16 16
221 11 11
222 3 3
223 4 4
224 2 2
225 103 103
226 33 33
227 91 91
228 16 16
229 7 7
230 1 1
237 4 4
238 1 1
239 3 3
240 4 4
241 97 97
242 21 21
243 53 53
244 9 9
245 4 4
246 1 1
247 1 1
248 1 1
249 2 2
250 1 1
251 2 2
252 1 1
253 20 20
254 6 6
255 18 18
256 101 101
257 20 20
258 9 9
259 1 1
265 1 1
267 3 3
268 2 2
269 22 22
270 7 7
271 6 6
272 1 1
281 2 2
282 2 2
283 26 26
284 14 14
285 81 81
286 21 21
287 12 12
288 2 2
289 1 1
297 4 4
298 59 59
299 992 992
300 262 262
301 146 146
302 27 27
303 8 8
304 2 2
305 2 2
306 1 1
307 2 2
308 2 2
309 2 2
310 2 2
311 3 3
312 2 2
313 18 18
314 48 48
315 200 200
316 65 65
317 32 32
318 7 7
319 2 2
320 1 1
326 1 1
327 14 14
328 45 45
329 16 16
330 6 6
331 1 1
337 1 1
339 1 1
340 7 7
341 69 69
342 34 34
343 17 17
344 6 6
345 2 2
346 1 1
347 2 2
348 2 2
349 2 2
350 2 2
351 2 2
352 2 2
353 2 2
354 1 1
355 6 6
356 51 51
357 630 630
358 183 183
359 94 94
360 19 19
361 5 5
362 1 1
369 6 6
370 84 84
371 27 27
372 17 17
373 46 46
374 17 17
375 9 9
376 3 3
377 1 1
385 1 1
386 11 11
387 69 69
388 28 28
389 30 30
390 11 11
391 5 5
392 2 2
414 1 1
415 8 8
416 4 4
417 4 4
418 1 1
429 1 1
444 13 13
445 82 82
446 33 33
447 16 16
448 4 4
449 1 1
//