MassBank Record: WA001405



 Methyldopa; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001405
RECORD_TITLE: Methyldopa; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Methyldopa CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13NO4 CH$EXACT_MASS: 211.08446 CH$SMILES: OC(=O)C(C)(N)Cc(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1 CH$LINK: CAS 555-30-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.620 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0190000000-a7c9ea74db9aa9049c54 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 122 20 20 151 8 8 162 8 8 163 24 24 171 12 12 177 12 12 179 24 24 182 8 8 185 8 8 187 39 39 193 12 12 194 20 20 195 71 71 196 8 8 202 8 8 204 12 12 207 8 8 209 51 51 210 12 12 212 999 999 213 78 78 214 8 8 217 12 12 218 12 12 226 16 16 229 16 16 231 8 8 234 137 137 238 12 12 239 20 20 250 8 8 //