ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 555-30-6
CH$LINK: INCHIKEY CJCSPKMFHVPWAR-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID5023295

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 2.620 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 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
//