ACCESSION: MSBNK-Waters-WA001406
RECORD_TITLE: Methocarbamol; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-00di-0900000000-7abb0dc024d5573ad5f4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  102 35 35
  103 498 498
  104 31 31
  105 274 274
  106 12 12
  107 35 35
  108 12 12
  109 47 47
  110 313 313
  111 20 20
  115 51 51
  116 8 8
  118 121 121
  119 63 63
  120 31 31
  121 999 999
  122 325 325
  123 31 31
  124 12 12
  130 8 8
  131 71 71
  132 20 20
  134 8 8
  135 27 27
  136 8 8
  137 8 8
  147 47 47
  148 27 27
  163 8 8
  248 16 16
  264 106 106
  265 12 12
  280 67 67
  281 8 8
  282 8 8
//