ACCESSION: MSBNK-Waters-WA002309
RECORD_TITLE: Carbidopa; LC-ESI-Q; MS; NEG; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbidopa
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄N₂O₄
CH$EXACT_MASS: 226.09536
CH$SMILES: NNC(C)(C(O)=O)Cc(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
CH$LINK: CAS 28860-95-9
CH$LINK: INCHIKEY TZFNLOMSOLWIDK-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID4022735

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 3.120 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, 90 V

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

PK$SPLASH: splash10-00di-0920000000-9eee4c9cc38ee0ef4f9a
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  101 165 165
  103 8 8
  104 12 12
  105 35 35
  106 20 20
  107 43 43
  108 168 168
  109 443 443
  110 12 12
  113 12 12
  115 8 8
  116 12 12
  117 8 8
  118 20 20
  119 20 20
  121 145 145
  122 404 404
  123 999 999
  124 51 51
  125 20 20
  130 16 16
  131 20 20
  132 20 20
  133 27 27
  134 27 27
  138 24 24
  139 27 27
  143 8 8
  144 12 12
  145 12 12
  147 35 35
  148 55 55
  149 407 407
  150 31 31
  153 8 8
  157 8 8
  158 12 12
  162 71 71
  163 20 20
  164 172 172
  165 12 12
  168 16 16
  174 27 27
  175 8 8
  176 16 16
  177 16 16
  178 12 12
  179 16 16
  180 12 12
  181 16 16
  184 8 8
  188 31 31
  189 8 8
  191 39 39
  193 16 16
  195 24 24
  197 8 8
  199 16 16
  204 8 8
  205 20 20
  206 16 16
  207 16 16
  209 24 24
  211 8 8
  217 31 31
  219 24 24
  220 31 31
  223 12 12
  225 176 176
  226 24 24
  227 27 27
  234 8 8
  235 8 8
  238 24 24
  241 8 8
  247 98 98
  249 47 47
  250 8 8
  251 20 20
  256 20 20
  257 20 20
  258 16 16
  259 8 8
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  262 12 12
  264 12 12
  265 8 8
  269 8 8
  271 27 27
  272 8 8
  274 39 39
  278 8 8
  281 12 12
  283 8 8
  284 16 16
  287 12 12
  288 12 12
  289 12 12
//