MassBank Record: WA001404



 Methyldopa; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001404
RECORD_TITLE: Methyldopa; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00rj-0910000000-efaf4bcfb7db1d6aa1ba PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 100 20 20 102 106 106 103 137 137 104 35 35 106 290 290 108 8 8 109 8 8 111 98 98 112 24 24 115 20 20 116 24 24 117 8 8 118 8 8 119 12 12 120 39 39 121 353 353 122 255 255 123 55 55 124 20 20 125 16 16 126 110 110 127 35 35 129 12 12 133 43 43 134 20 20 135 24 24 136 12 12 137 27 27 139 999 999 140 47 47 143 16 16 145 35 35 147 12 12 149 12 12 151 94 94 152 51 51 154 215 215 155 71 71 157 31 31 158 12 12 159 12 12 160 16 16 162 8 8 163 51 51 166 807 807 167 67 67 168 20 20 169 8 8 171 12 12 173 27 27 175 20 20 177 86 86 178 8 8 179 78 78 180 12 12 182 20 20 183 16 16 185 24 24 186 16 16 187 51 51 190 8 8 191 12 12 193 24 24 195 599 599 196 27 27 198 12 12 201 12 12 202 8 8 204 8 8 205 8 8 207 12 12 208 8 8 209 82 82 211 8 8 212 470 470 213 51 51 217 35 35 218 8 8 219 8 8 220 16 16 221 8 8 226 8 8 228 12 12 229 16 16 231 20 20 234 86 86 235 16 16 236 8 8 237 16 16 239 51 51 242 8 8 244 8 8 245 12 12 246 8 8 247 12 12 248 12 12 250 12 12 //