ACCESSION: MSBNK-Waters-WA001407
RECORD_TITLE: Methocarbamol; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-05fr-0900000000-1a83c24d50c735982437
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  103 729 729
  105 760 760
  106 59 59
  107 145 145
  108 39 39
  109 106 106
  110 505 505
  111 43 43
  115 39 39
  118 188 188
  119 55 55
  120 118 118
  121 588 588
  122 999 999
  123 121 121
  124 35 35
  125 102 102
  126 8 8
  130 27 27
  131 74 74
  132 71 71
  133 16 16
  134 20 20
  135 235 235
  136 43 43
  137 39 39
  145 24 24
  147 31 31
  148 118 118
  149 12 12
  151 24 24
  163 78 78
  164 8 8
  248 16 16
  249 8 8
  264 137 137
  280 59 59
//