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
//