MassBank Record: WA001406



 Methocarbamol; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 532-03-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.620 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //