ACCESSION: MSBNK-Waters-WA001402
RECORD_TITLE: Methyldopa; LC-ESI-Q; MS; POS; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0irr-0900000000-c5bf91bcd3c151c76c62
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  103 799 799
  104 55 55
  105 129 129
  106 59 59
  107 63 63
  108 16 16
  109 110 110
  110 12 12
  111 999 999
  114 8 8
  117 67 67
  118 24 24
  119 39 39
  120 59 59
  121 204 204
  122 63 63
  123 321 321
  124 16 16
  125 43 43
  126 16 16
  127 16 16
  130 74 74
  131 353 353
  132 74 74
  133 161 161
  134 176 176
  135 31 31
  136 35 35
  137 8 8
  139 251 251
  140 27 27
  141 8 8
  142 8 8
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  148 27 27
  149 86 86
  150 20 20
  151 51 51
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  160 16 16
  161 8 8
  162 8 8
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  166 165 165
  167 12 12
  172 12 12
  173 8 8
  176 16 16
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  194 12 12
  195 12 12
  196 12 12
  203 12 12
  208 12 12
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  211 8 8
  212 8 8
  213 8 8
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  219 8 8
  220 8 8
  234 8 8
  236 16 16
  240 12 12
  245 8 8
  250 27 27
//