ACCESSION: MSBNK-Waters-WA001587
RECORD_TITLE: Carisoprodol; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carisoprodol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄N₂O₄
CH$EXACT_MASS: 260.17361
CH$SMILES: CCCC(C)(COC(N)=O)COC(=O)NC(C)C
CH$IUPAC: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
CH$LINK: CAS 78-44-4
CH$LINK: INCHIKEY OFZCIYFFPZCNJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024733

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 15.620 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$SPLASH: splash10-001j-0290000000-815a75b73ef4588ba4f6
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  100 24 24
  104 145 145
  110 71 71
  112 24 24
  114 12 12
  119 8 8
  121 35 35
  122 8 8
  126 12 12
  137 8 8
  139 8 8
  141 8 8
  142 47 47
  156 8 8
  159 8 8
  160 8 8
  161 16 16
  162 47 47
  174 8 8
  175 12 12
  176 8 8
  180 12 12
  182 20 20
  183 12 12
  184 27 27
  185 12 12
  188 8 8
  189 16 16
  198 20 20
  200 24 24
  201 16 16
  202 8 8
  203 20 20
  205 16 16
  206 43 43
  212 12 12
  213 8 8
  217 24 24
  223 12 12
  224 8 8
  247 8 8
  255 8 8
  256 8 8
  258 12 12
  261 8 8
  267 133 133
  268 20 20
  278 16 16
  283 999 999
  284 106 106
  285 16 16
  293 8 8
  299 952 952
  300 106 106
  301 90 90
  302 20 20
  324 12 12
  327 8 8
  330 8 8
//