ACCESSION: MSBNK-Waters-WA001589
RECORD_TITLE: Carisoprodol; LC-ESI-Q; MS; POS; 30 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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0930000000-891fc48fef58bb4d21d9
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  104 51 51
  115 306 306
  116 16 16
  122 8 8
  133 8 8
  158 396 396
  159 27 27
  176 999 999
  177 71 71
  178 8 8
  200 294 294
  201 27 27
  261 176 176
  262 20 20
  267 16 16
  283 184 184
  284 20 20
  299 59 59
  300 8 8
//