ACCESSION: MSBNK-Waters-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: 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 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
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  250 12 12
//