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MassBank Record: WA001588

Carisoprodol; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001588
RECORD_TITLE: Carisoprodol; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0uyi-0960000000-b80180c95c7ccfcd7073
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  104 944 944
  105 20 20
  115 717 717
  116 31 31
  122 16 16
  133 16 16
  145 8 8
  156 8 8
  158 501 501
  159 35 35
  161 8 8
  176 458 458
  177 31 31
  200 564 564
  201 55 55
  222 8 8
  261 20 20
  266 8 8
  267 121 121
  268 8 8
  283 999 999
  284 114 114
  285 16 16
  299 129 129
  300 20 20
  301 16 16
  302 8 8
  324 16 16
//

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