MassBank Record: MSBNK-Waters-WA001055
ACCESSION: MSBNK-Waters-WA001055
RECORD_TITLE: Meprobamate; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Meprobamate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18N2O4
CH$EXACT_MASS: 218.12666
CH$SMILES: CCCC(C)(COC(N)=O)COC(N)=O
CH$IUPAC: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
CH$LINK: CAS
57-53-4
CH$LINK: INCHIKEY
NPPQSCRMBWNHMW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3023261
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.950 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4l-0291200000-bc5c9e8ea33b4b0b0004
PK$ANNOTATION: m/z type
219 [M+H]+
241 [M+Na]+
257 [M+K]+
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
100 82 82
101 8 8
102 12 12
113 12 12
114 31 31
117 8 8
118 20 20
122 8 8
123 12 12
125 16 16
126 16 16
127 8 8
131 8 8
136 8 8
141 39 39
145 16 16
153 20 20
155 12 12
157 12 12
158 67 67
159 20 20
162 20 20
165 8 8
167 12 12
168 8 8
171 35 35
177 8 8
181 20 20
182 24 24
183 16 16
184 16 16
187 8 8
189 24 24
191 12 12
193 12 12
194 16 16
195 12 12
196 12 12
198 8 8
200 12 12
204 8 8
205 12 12
207 12 12
210 8 8
212 16 16
213 12 12
214 20 20
217 16 16
219 39 39
223 20 20
224 8 8
230 20 20
231 8 8
232 8 8
233 16 16
235 35 35
236 35 35
237 20 20
239 12 12
241 999 999
242 118 118
243 12 12
244 8 8
245 8 8
250 12 12
251 12 12
255 24 24
257 780 780
258 110 110
259 59 59
260 20 20
266 8 8
267 12 12
274 8 8
275 8 8
279 8 8
282 43 43
283 8 8
295 8 8
298 8 8
299 24 24
301 12 12
302 16 16
303 12 12
309 55 55
310 8 8
314 12 12
318 8 8
320 8 8
321 16 16
325 114 114
327 12 12
339 8 8
342 8 8
344 8 8
345 16 16
354 12 12
355 8 8
361 12 12
363 12 12
366 8 8
372 8 8
373 8 8
377 8 8
386 8 8
396 12 12
397 8 8
400 8 8
408 12 12
412 8 8
454 27 27
455 8 8
459 357 357
460 106 106
461 12 12
475 78 78
476 8 8
//