ACCESSION: MSBNK-Waters-WA001408
RECORD_TITLE: Methocarbamol; 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$NAME: Methocarbamol
CH$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 45 V

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

PK$SPLASH: splash10-0329-0900000000-2dd4003da62a11b20974
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  103 196 196
  105 313 313
  106 8 8
  107 157 157
  108 12 12
  110 192 192
  111 31 31
  115 8 8
  118 999 999
  119 35 35
  120 39 39
  121 313 313
  122 345 345
  123 243 243
  125 615 615
  126 31 31
  131 63 63
  132 39 39
  133 27 27
  135 435 435
  136 47 47
  137 137 137
  138 8 8
  145 39 39
  148 125 125
  149 16 16
  151 215 215
  152 8 8
  163 607 607
  164 47 47
  181 20 20
  199 27 27
  237 8 8
  248 39 39
  249 8 8
  264 364 364
  265 35 35
  280 35 35
//