ACCESSION: MSBNK-Waters-WA001409
RECORD_TITLE: Methocarbamol; 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$NAME: Methocarbamol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO₅
CH$EXACT_MASS: 241.09502
CH$SMILES: COc(c1)c(ccc1)OCC(O)COC(N)=O
CH$IUPAC: InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
CH$LINK: CAS 532-03-6
CH$LINK: INCHIKEY GNXFOGHNGIVQEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023286

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 12.620 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$SPLASH: splash10-02t9-0920000000-eca16ae2699da67fc03e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  107 8 8
  118 999 999
  119 27 27
  120 8 8
  121 12 12
  123 16 16
  125 223 223
  126 12 12
  131 8 8
  135 27 27
  137 16 16
  151 90 90
  163 313 313
  164 27 27
  181 63 63
  199 266 266
  200 20 20
  224 47 47
  225 8 8
  242 94 94
  243 12 12
  248 12 12
  264 223 223
  265 24 24
  280 51 51
//