ACCESSION: MSBNK-Waters-WA001410
RECORD_TITLE: Methocarbamol; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-0006-0190000000-726e4b20d44a0d5c6a1b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  118 180 180
  119 8 8
  163 43 43
  181 12 12
  199 121 121
  200 8 8
  224 24 24
  242 999 999
  243 102 102
  244 12 12
  248 8 8
  259 98 98
  260 12 12
  264 184 184
  265 16 16
  280 129 129
  281 12 12
  282 12 12
  287 39 39
  288 8 8
//